!************************************************************************
! This computer software was prepared by Battelle Memorial Institute,
! hereinafter the Contractor, under Contract No. DE-AC05-76RL0 1830 with
! the Department of Energy (DOE). NEITHER THE GOVERNMENT NOR THE
! CONTRACTOR MAKES ANY WARRANTY, EXPRESS OR IMPLIED, OR ASSUMES ANY
! LIABILITY FOR THE USE OF THIS SOFTWARE.
!
! MOSAIC module: see module_mosaic_driver.F for references and terms of
! use
!************************************************************************
module module_mosaic_therm
use module_data_mosaic_therm
use module_peg_util
implicit none
intrinsic max, min
contains
! zz01aerchemistry.f (mosaic.28.0)
! 5/21/2014 raz - updated subr. aerosol_phase_state and function aerosol_water.
! All particles are forced to be metastable (or stable) for RH > 35%
! OC (POA), SOA, OIN, BC are now included in water content calculation using kappa-Kohler theory.
! The kappa values are hardcoded in function aerosol_water.
! 11/13/2008 raz - updated calculation of "epercent" variable
! 6/25/2008 raz - updated nh4no3 and nh4cl condensation algorithm
! 30-apr-07 raz - made about a dozen changes/bug fixes. search for "raz-30apr07" to see the changes
! 05-feb-07 wig - converted to double
! 10-jan-07 raz - contains major revisions and updates. new module ASTEM replaces ASTEEM.
! 04-aug-06 raz - fixed bugs in asteem_flux_mix_case3a and asteem_flux_mix_case3b
! revised treatment of kelvin effect.
! 06-jun-06 rce - changed dens_aer_mac(ica_a) & (ico3_a) from 2.5 to 2.6
! 31-may-06 rce - got latest version from
! nirvana:/home/zaveri/rahul/pegasus/pegasus.3.1.1/src
! in subr map_mosaic_species, turned off mapping
! of soa species
! 18-may-06 raz - major revisions in asteem and minor changes in mesa
! 22-jan-06 raz - revised nh4no3 and nh4cl condensation algorithm
! 07-jan-06 raz - improved asteem algorithm
! 28-apr-05 raz - reversed calls to form_cacl2 and form_nacl
! fixed caco3 error in subr. electrolytes_to_ions
! renamed dens_aer to dens_aer_mac; mw_aer to mw_aer_mac
! 27-apr-05 raz - updated dry_mass calculation approach in mesa_convergence
! 22-apr-05 raz - fixed caso4 mass balance problem and updated algorithm to
! calculate phi_volatile for nh3, hno3, and hcl.
! 20-apr-05 raz - updated asceem
! 19-apr-05 raz - updated the algorithm to constrain the nh4 concentration
! during simultaneous nh3, hno3, and hcl integration such
! that it does not exceed the max possible value for a given bin
! 14-apr-05 raz - fixed asteem_flux_wet_case3 and asteem_flux_dry_case3c
! 11-jan-05 raz - major updates to many subroutines
! 18-nov-04 rce - make sure that acos argument is between +/-1.0
! 28-jan-04 rce - added subr aerchem_boxtest_output;
! eliminated some unnecessary 'include v33com-'
! 01-dec-03 rce - added 'implicit none' to many routines;
! eliminated some unnecessary 'include v33com-'
! 05-oct-03 raz - added hysteresis treatment
! 02-sep-03 raz - implemented asteem
! 10-jul-03 raz - changed ix to ixd in interp. subrs fast*_up and fast*_lo
! 08-jul-03 raz - implemented asteem (adaptive step time-split
! explicit euler method)
! 26-jun-03 raz - updated almost all the subrs. this version contains
! options for rigorous and fast solvers (including lsode solver)
!
! 07-oct-02 raz - made zx and zm integers in activity coeff subs.
! 16-sep-02 raz - updated many subrs to treat calcium salts
! 19-aug-02 raz - inlcude v33com9a in subr aerosolmtc
! 14-aug-02 rce - '(msectional.eq.0)' changed to '(msectional.le.0)'
! 07-aug-02 rce - this is rahul's latest version from freshair
! after adding 'real mean_molecular_speed' wherever it is used
! 01-apr-02 raz - made final tests and gave the code to jerome
!
! 04--14-dec-01 rce - several minor changes during initial testing/debug
! in 3d los angeles simulation
! (see earlier versions for details about these changes)
!-----------------------------------------------------------------------
!23456789012345678901234567890123456789012345678901234567890123456789012
!***********************************************************************
! interface to mosaic
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine aerchemistry( iclm, jclm, kclm_calcbgn, kclm_calcend, &
dtchem_sngl, idiagaa,vbs_nbin )
use module_data_mosaic_asect
use module_data_mosaic_other
use module_mosaic_movesect, only: move_sections
! implicit none
! include 'v33com'
! include 'v33com2'
! include 'v33com3'
! include 'mosaic.h'
! subr arguments
integer iclm, jclm, kclm_calcbgn, kclm_calcend, idiagaa,vbs_nbin(1)
real dtchem_sngl
! local variables
real(kind=8) :: dtchem
integer k, m
dtchem = dtchem_sngl
lunerr_aer = lunerr
ncorecnt_aer = ncorecnt
! special output for solver testing
call aerchem_boxtest_output( 1, iclm, jclm, 0, 0, dtchem )
iclm_aer = iclm
jclm_aer = jclm
kclm_aer_calcbgn = kclm_calcbgn
kclm_aer_calcend = kclm_calcend
do 200 m = 1, nsubareas
mclm_aer = m
do 100 k = kclm_aer_calcbgn, kclm_aer_calcend
kclm_aer = k
if (afracsubarea(k,m) .lt. 1.e-4) goto 100
istat_mosaic_fe1 = 1
call mosaic( k, m, dtchem,vbs_nbin)
if (istat_mosaic_fe1 .lt. 0) then
nfe1_mosaic_cur = nfe1_mosaic_cur + 1
nfe1_mosaic_tot = nfe1_mosaic_tot + 1
if (iprint_mosaic_fe1 .gt. 0) then
write(6,*) 'mosaic aerchemistry fatal error - i/j/k/m =', &
iclm_aer, jclm_aer, kclm_aer, mclm_aer
call print_input
if (iprint_mosaic_fe1 .ge. 10) &
call mosaic_aerchem_error_dump( 0, 0, lunerr_aer, &
'aerchemistry fatal error' )
end if
goto 100
end if
call specialoutaa( iclm, jclm, k, m, 'befor_movesect' )
call move_sections( 1, iclm, jclm, k, m)
call specialoutaa( iclm, jclm, k, m, 'after_movesect' )
100 continue ! k levels
200 continue ! subareas
! special output for solver testing
call aerchem_boxtest_output( 3, iclm, jclm, 0, 0, dtchem )
return
end subroutine aerchemistry
!***********************************************************************
! mosaic (model for simulating aerosol interactions and chemistry)
!
! author: rahul a. zaveri
! update: dec 2004
!-----------------------------------------------------------------------
subroutine mosaic(k, m, dtchem,vbs_nbin)
use module_data_mosaic_asect
use module_data_mosaic_other
! implicit none
! include 'v33com'
! include 'v33com3'
! include 'mosaic.h'
! subr arguments
integer k, m,vbs_nbin(1)
real(kind=8) dtchem
! local variables
real(kind=8) yh2o, dumdum
integer iclm_debug, jclm_debug, kclm_debug, ncnt_debug
! data iclm_debug /28/
! data jclm_debug /1/
! data kclm_debug /9/
! data ncnt_debug /6/
iclm_debug=-28; jclm_debug=1; kclm_debug=9; ncnt_debug=6
if(iclm_aer .eq. iclm_debug .and. &
jclm_aer .eq. jclm_debug .and. &
kclm_aer .eq. kclm_debug .and. &
ncorecnt_aer .eq. ncnt_debug)then
dumdum = 0.0
endif
! overwrite inputs
if(1.eq.0)then
call hijack_input(k,m)
endif
t_k = rsub(ktemp,k,m) ! update temperature = k
p_atm = ptotclm(k) /1.032d6 ! update pressure = atm
yh2o = rsub(kh2o,k,m) ! mol(h2o)/mol(air)
rh_pc = 100.*relhumclm(k) ! rh (%)
ah2o = relhumclm(k) ! fractional rh
call load_mosaic_parameters ! sets up indices and other stuff once per simulation
call initialize_mosaic_variables
call update_thermodynamic_constants(vbs_nbin) ! update t and rh dependent constants
call map_mosaic_species(k, m, 0)
call overall_massbal_in ! save input mass over all bins
iprint_input = myes ! reset to default
call mosaic_dynamic_solver( dtchem,vbs_nbin )
if (istat_mosaic_fe1 .lt. 0) return
call overall_massbal_out(0) ! check mass balance after integration
call map_mosaic_species(k, m, 1)
! write(6,*)' done ijk', iclm_aer, jclm_aer, kclm_aer
return
end subroutine mosaic
!***********************************************************************
! interface to asceem and asteem dynamic gas-particle exchange solvers
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine mosaic_dynamic_solver( dtchem,vbs_nbin )
! implicit none
! include 'v33com'
! include 'mosaic.h'
! subr arguments
real(kind=8) dtchem
! local variables
integer ibin, iv, k, m,vbs_nbin(1)
real(kind=8) xt, dumdum
! real(kind=8) aerosol_water_up ! mosaic func
! if(iclm_aer .eq. 21 .and. &
! jclm_aer .eq. 17 .and. &
! kclm_aer .eq. 3 .and. &
! ncorecnt_aer .eq. 4)then
! dumdum = 0.0
! endif
do 500 ibin = 1, nbin_a
call check_aerosol_mass(ibin)
if(jaerosolstate(ibin) .eq. no_aerosol)goto 500
call conform_electrolytes(jtotal,ibin,xt) ! conforms aer(jtotal) to a valid aerosol
call check_aerosol_mass(ibin) ! check mass again after conform_electrolytes
if(jaerosolstate(ibin) .eq. no_aerosol)goto 500 ! ignore this bin
call conform_aerosol_number(ibin) ! adjusts number conc so that it conforms with bin mass and diameter
500 continue
! box
! call initial_aer_print_box ! box
call save_pregrow_props
call specialoutaa( iclm_aer, jclm_aer, kclm_aer, 77, &
'after_conform' )
!
!-------------------------------------
! do dynamic gas-aerosol mass transfer
if(mgas_aer_xfer .eq. mon)then
call astem(dtchem,vbs_nbin)
endif
!-------------------------------------
! box
! grows or shrinks size depending on mass increase or decrease
!
! do ibin = 1, nbin_a
! if(jaerosolstate(ibin) .ne. no_aerosol)then
! call conform_particle_size(ibin) ! box
! endif
! enddo
do 600 ibin = 1, nbin_a
if(jaerosolstate(ibin).eq.no_aerosol) goto 600
if(jhyst_leg(ibin) .eq. jhyst_lo)then
water_a_hyst(ibin) = 0.0
elseif(jhyst_leg(ibin) .eq. jhyst_up)then
water_a_up(ibin) = aerosol_water_up(ibin) ! at 60% rh
water_a_hyst(ibin) = water_a_up(ibin)
endif
call calc_dry_n_wet_aerosol_props(ibin) ! compute final mass and density
600 continue
return
end subroutine mosaic_dynamic_solver
subroutine hijack_input(k, m)
use module_data_mosaic_asect
use module_data_mosaic_other
! implicit none
! include 'v33com'
! include 'v33com3'
! include 'v33com9a'
! include 'v33com9b'
! include 'mosaic.h'
! subr arguments
integer k, m
! local variables
integer ibin, igas, iphase, isize, itype
real(kind=8) t_kdum, p_atmdum, rhdum, cairclmdum
real(kind=8) gasdum(4), aerdum(14,8)
! read inputs----------------
open(92, file = 'box.txt')
read(92,*)t_kdum, p_atmdum, rhdum, cairclmdum
! do igas = 1, 4
read(92,*)gasdum(1),gasdum(2),gasdum(3),gasdum(4)
! enddo
do ibin = 1, nbin_a
read(92,*)aerdum(1,ibin),aerdum(2,ibin),aerdum(3,ibin), &
aerdum(4,ibin),aerdum(5,ibin),aerdum(6,ibin), &
aerdum(7,ibin),aerdum(8,ibin),aerdum(9,ibin), &
aerdum(10,ibin),aerdum(11,ibin),aerdum(12,ibin), &
aerdum(13,ibin),aerdum(14,ibin)
enddo
close(92)
!----------------------------
rsub(ktemp,k,m) = t_kdum ! update temperature = k
ptotclm(k) = p_atmdum*1.032d6! update pressure = atm
relhumclm(k) = rhdum/100.0 ! fractional rh
cairclm(k) = cairclmdum ! mol/cc
! 3-d
! calculate air conc in mol/m^3
cair_mol_m3 = cairclm(k)*1.e6 ! cairclm(k) is in mol/cc
cair_mol_cc = cairclm(k)
! 3-d
! define conversion factors
conv1a = cair_mol_m3*1.e9 ! converts q/mol(air) to nq/m^3 (q = mol or g)
conv1b = 1./conv1a ! converts nq/m^3 to q/mol(air)
conv2a = cair_mol_m3*18.*1.e-3 ! converts mol(h2o)/mol(air) to kg(h2o)/m^3(air)
conv2b = 1./conv2a ! converts kg(h2o)/m^3(air) to mol(h2o)/mol(air)
! read rsub (mol/mol(air))
! gas
rsub(kh2so4,k,m) = gasdum(1)
rsub(khno3,k,m) = gasdum(2)
rsub(khcl,k,m) = gasdum(3)
rsub(knh3,k,m) = gasdum(4)
! aerosol: rsub [mol/mol (air) or g/mol(air)]
iphase = ai_phase
ibin = 0
do 10 itype = 1, ntype_aer
do 10 isize = 1, nsize_aer(itype)
ibin = ibin + 1
rsub(lptr_so4_aer(isize,itype,iphase),k,m) = aerdum(1,ibin)
rsub(lptr_no3_aer(isize,itype,iphase),k,m) = aerdum(2,ibin)
rsub(lptr_cl_aer(isize,itype,iphase),k,m) = aerdum(3,ibin)
rsub(lptr_nh4_aer(isize,itype,iphase),k,m) = aerdum(4,ibin)
rsub(lptr_oc_aer(isize,itype,iphase),k,m) = aerdum(5,ibin)
rsub(lptr_co3_aer(isize,itype,iphase),k,m) = aerdum(6,ibin)
rsub(lptr_msa_aer(isize,itype,iphase),k,m) = aerdum(7,ibin)
rsub(lptr_bc_aer(isize,itype,iphase),k,m) = aerdum(8,ibin)
rsub(lptr_na_aer(isize,itype,iphase),k,m) = aerdum(9,ibin)
rsub(lptr_ca_aer(isize,itype,iphase),k,m) = aerdum(10,ibin)
rsub(lptr_oin_aer(isize,itype,iphase),k,m) = aerdum(11,ibin)
rsub(hyswptr_aer(isize,itype),k,m) = aerdum(12,ibin) ! kg/m^3(air)
rsub(waterptr_aer(isize,itype),k,m) = aerdum(13,ibin) ! kg/m^3(air)
rsub(numptr_aer(isize,itype,iphase),k,m) = aerdum(14,ibin) ! num_a is in #/cc
10 continue
return
end subroutine hijack_input
!***********************************************************************
! intializes all the mosaic variables to zero or their default values.
!
! author: rahul a. zaveri
! update: jun 2003
!-----------------------------------------------------------------------
subroutine initialize_mosaic_variables
! implicit none
! include 'mosaic.h'
! local variables
integer iaer, ibin, iv, ja, jc, je
do iv = 1, ngas_ioa
gas(iv) = 0.0
enddo
! initialize to zero
do ibin = 1, nbin_a
num_a(ibin) = 0.0
mass_dry_a(ibin) = 0.0
mass_soluble_a(ibin) = 0.0
do iaer = 1, naer
aer(iaer,jtotal,ibin) = 0.0
aer(iaer,jsolid,ibin) = 0.0
aer(iaer,jliquid,ibin) = 0.0
enddo
do je = 1, nelectrolyte
electrolyte(je,jtotal,ibin) = 0.0
electrolyte(je,jsolid,ibin) = 0.0
electrolyte(je,jliquid,ibin) = 0.0
epercent(je,jtotal,ibin) = 0.0 ! raz update 11/13/2008
epercent(je,jsolid,ibin) = 0.0 ! raz update 11/13/2008
epercent(je,jliquid,ibin) = 0.0 ! raz update 11/13/2008
activity(je,ibin) = 0.0
gam(je,ibin) = 0.0
enddo
gam_ratio(ibin) = 0.0
do iv = 1, ngas_ioa
flux_s(iv,ibin) = 0.0
flux_l(iv,ibin) = 0.0
kg(iv,ibin) = 0.0
! fraceq(iv,ibin) =0.0
phi_volatile_s(iv,ibin) = 0.0
phi_volatile_l(iv,ibin) = 0.0
df_gas_s(iv,ibin) = 0.0
df_gas_l(iv,ibin) = 0.0
volatile_s(iv,ibin) = 0.0
enddo
jaerosolstate(ibin) = -1 ! initialize to default value
jphase(ibin) = 0
do jc = 1, ncation
mc(jc,ibin) = 0.0
enddo
do ja = 1, nanion
ma(ja,ibin) = 0.0
enddo
enddo ! ibin
return
end subroutine initialize_mosaic_variables
!***********************************************************************
! maps rsub(k,l,m) to and from mosaic arrays: gas and aer
!
! author: rahul a. zaveri
! update: nov 2001
!-------------------------------------------------------------------------
subroutine map_mosaic_species(k, m, imap)
use module_data_mosaic_asect
use module_data_mosaic_other
use module_state_description, only: param_first_scalar
! implicit none
! include 'v33com'
! include 'v33com3'
! include 'v33com9a'
! include 'v33com9b'
! subr arguments
integer k, m, imap
! local variables
integer ibin, iphase, isize, itsi, itype, l, p1st
! if a species index is less than this value, then the species is not defined
p1st = param_first_scalar
! 3-d
! calculate air conc in mol/m^3
cair_mol_m3 = cairclm(k)*1.e6 ! cairclm(k) is in mol/cc
cair_mol_cc = cairclm(k)
! 3-d
! define conversion factors
conv1a = cair_mol_m3*1.d9 ! converts q/mol(air) to nq/m^3 (q = mol or g)
conv1b = 1.d0/conv1a ! converts nq/m^3 to q/mol(air)
conv2a = cair_mol_m3*18.*1.d-3 ! converts mol(h2o)/mol(air) to kg(h2o)/m^3(air)
conv2b = 1.d0/conv2a ! converts kg(h2o)/m^3(air) to mol(h2o)/mol(air)
! box
! conv1 = 1.d15/avogad ! converts (molec/cc) to (nmol/m^3)
! conv2 = 1.d0/conv1 ! converts (nmol/m^3) to (molec/cc)
! kaerstart = ngas_max
if(imap.eq.0)then ! map rsub (mol/mol(air)) into aer (nmol/m^3)
! gas
if (kh2so4 .ge. p1st) then
gas(ih2so4_g) = rsub(kh2so4,k,m)*conv1a ! nmol/m^3
else
gas(ih2so4_g) = 0.0
end if
if (khno3 .ge. p1st) then
gas(ihno3_g) = rsub(khno3,k,m)*conv1a
else
gas(ihno3_g) = 0.0
end if
if (khcl .ge. p1st) then
gas(ihcl_g) = rsub(khcl,k,m)*conv1a
else
gas(ihcl_g) = 0.0
end if
if (knh3 .ge. p1st) then
gas(inh3_g) = rsub(knh3,k,m)*conv1a
else
gas(inh3_g) = 0.0
end if
if (kn2o5 .ge. p1st) then
gas(in2o5_g) = rsub(kn2o5,k,m)*conv1a
else
gas(in2o5_g) = 0.0
end if
if (kclno2 .ge. p1st) then
gas(iclno2_g) = rsub(kclno2,k,m)*conv1a
else
gas(iclno2_g) = 0.0
end if
! soa gas-phase species -- currently deactivated
if (kpcg1_b_c .ge. p1st) then
gas(ipcg1_b_c_g) = rsub(kpcg1_b_c,k,m)*conv1a
else
gas(ipcg1_b_c_g) = 0.0
end if
if (kpcg2_b_c .ge. p1st) then
gas(ipcg2_b_c_g) = rsub(kpcg2_b_c,k,m)*conv1a
else
gas(ipcg2_b_c_g) = 0.0
end if
if (kpcg3_b_c .ge. p1st) then
gas(ipcg3_b_c_g) = rsub(kpcg3_b_c,k,m)*conv1a
else
gas(ipcg3_b_c_g) = 0.0
end if
if (kpcg4_b_c .ge. p1st) then
gas(ipcg4_b_c_g) = rsub(kpcg4_b_c,k,m)*conv1a
else
gas(ipcg4_b_c_g) = 0.0
end if
if (kpcg5_b_c .ge. p1st) then
gas(ipcg5_b_c_g) = rsub(kpcg5_b_c,k,m)*conv1a
else
gas(ipcg5_b_c_g) = 0.0
end if
if (kpcg6_b_c .ge. p1st) then
gas(ipcg6_b_c_g) = rsub(kpcg6_b_c,k,m)*conv1a
else
gas(ipcg6_b_c_g) = 0.0
end if
if (kpcg7_b_c .ge. p1st) then
gas(ipcg7_b_c_g) = rsub(kpcg7_b_c,k,m)*conv1a
else
gas(ipcg7_b_c_g) = 0.0
end if
if (kpcg8_b_c .ge. p1st) then
gas(ipcg8_b_c_g) = rsub(kpcg8_b_c,k,m)*conv1a
else
gas(ipcg8_b_c_g) = 0.0
end if
if (kpcg9_b_c .ge. p1st) then
gas(ipcg9_b_c_g) = rsub(kpcg9_b_c,k,m)*conv1a
else
gas(ipcg9_b_c_g) = 0.0
end if
if (kpcg1_b_o .ge. p1st) then
gas(ipcg1_b_o_g) = rsub(kpcg1_b_o,k,m)*conv1a
else
gas(ipcg1_b_o_g) = 0.0
end if
if (kpcg2_b_o .ge. p1st) then
gas(ipcg2_b_o_g) = rsub(kpcg2_b_o,k,m)*conv1a
else
gas(ipcg2_b_o_g) = 0.0
end if
if (kpcg3_b_o .ge. p1st) then
gas(ipcg3_b_o_g) = rsub(kpcg3_b_o,k,m)*conv1a
else
gas(ipcg3_b_o_g) = 0.0
end if
if (kpcg4_b_o .ge. p1st) then
gas(ipcg4_b_o_g) = rsub(kpcg4_b_o,k,m)*conv1a
else
gas(ipcg4_b_o_g) = 0.0
end if
if (kpcg5_b_o .ge. p1st) then
gas(ipcg5_b_o_g) = rsub(kpcg5_b_o,k,m)*conv1a
else
gas(ipcg5_b_o_g) = 0.0
end if
if (kpcg6_b_o .ge. p1st) then
gas(ipcg6_b_o_g) = rsub(kpcg6_b_o,k,m)*conv1a
else
gas(ipcg6_b_o_g) = 0.0
end if
if (kpcg7_b_o .ge. p1st) then
gas(ipcg7_b_o_g) = rsub(kpcg7_b_o,k,m)*conv1a
else
gas(ipcg7_b_o_g) = 0.0
end if
if (kpcg8_b_o .ge. p1st) then
gas(ipcg8_b_o_g) = rsub(kpcg8_b_o,k,m)*conv1a
else
gas(ipcg8_b_o_g) = 0.0
end if
if (kpcg9_b_o .ge. p1st) then
gas(ipcg9_b_o_g) = rsub(kpcg9_b_o,k,m)*conv1a
else
gas(ipcg9_b_o_g) = 0.0
end if
if (kopcg1_b_c .ge. p1st) then
gas(iopcg1_b_c_g) = rsub(kopcg1_b_c,k,m)*conv1a
else
gas(iopcg1_b_c_g) = 0.0
end if
if (kopcg2_b_c .ge. p1st) then
gas(iopcg2_b_c_g) = rsub(kopcg2_b_c,k,m)*conv1a
else
gas(iopcg2_b_c_g) = 0.0
end if
if (kopcg3_b_c .ge. p1st) then
gas(iopcg3_b_c_g) = rsub(kopcg3_b_c,k,m)*conv1a
else
gas(iopcg3_b_c_g) = 0.0
end if
if (kopcg4_b_c .ge. p1st) then
gas(iopcg4_b_c_g) = rsub(kopcg4_b_c,k,m)*conv1a
else
gas(iopcg4_b_c_g) = 0.0
end if
if (kopcg5_b_c .ge. p1st) then
gas(iopcg5_b_c_g) = rsub(kopcg5_b_c,k,m)*conv1a
else
gas(iopcg5_b_c_g) = 0.0
end if
if (kopcg6_b_c .ge. p1st) then
gas(iopcg6_b_c_g) = rsub(kopcg6_b_c,k,m)*conv1a
else
gas(iopcg6_b_c_g) = 0.0
end if
if (kopcg7_b_c .ge. p1st) then
gas(iopcg7_b_c_g) = rsub(kopcg7_b_c,k,m)*conv1a
else
gas(iopcg7_b_c_g) = 0.0
end if
if (kopcg8_b_c .ge. p1st) then
gas(iopcg8_b_c_g) = rsub(kopcg8_b_c,k,m)*conv1a
else
gas(iopcg8_b_c_g) = 0.0
end if
if (kopcg1_b_o .ge. p1st) then
gas(iopcg1_b_o_g) = rsub(kopcg1_b_o,k,m)*conv1a
else
gas(iopcg1_b_o_g) = 0.0
end if
if (kopcg2_b_o .ge. p1st) then
gas(iopcg2_b_o_g) = rsub(kopcg2_b_o,k,m)*conv1a
else
gas(iopcg2_b_o_g) = 0.0
end if
if (kopcg3_b_o .ge. p1st) then
gas(iopcg3_b_o_g) = rsub(kopcg3_b_o,k,m)*conv1a
else
gas(iopcg3_b_o_g) = 0.0
end if
if (kopcg4_b_o .ge. p1st) then
gas(iopcg4_b_o_g) = rsub(kopcg4_b_o,k,m)*conv1a
else
gas(iopcg4_b_o_g) = 0.0
end if
if (kopcg5_b_o .ge. p1st) then
gas(iopcg5_b_o_g) = rsub(kopcg5_b_o,k,m)*conv1a
else
gas(iopcg5_b_o_g) = 0.0
end if
if (kopcg6_b_o .ge. p1st) then
gas(iopcg6_b_o_g) = rsub(kopcg6_b_o,k,m)*conv1a
else
gas(iopcg6_b_o_g) = 0.0
end if
if (kopcg7_b_o .ge. p1st) then
gas(iopcg7_b_o_g) = rsub(kopcg7_b_o,k,m)*conv1a
else
gas(iopcg7_b_o_g) = 0.0
end if
if (kopcg8_b_o .ge. p1st) then
gas(iopcg8_b_o_g) = rsub(kopcg8_b_o,k,m)*conv1a
else
gas(iopcg8_b_o_g) = 0.0
end if
if (kpcg1_f_c .ge. p1st) then
gas(ipcg1_f_c_g) = rsub(kpcg1_f_c,k,m)*conv1a
else
gas(ipcg1_f_c_g) = 0.0
end if
if (kpcg2_f_c .ge. p1st) then
gas(ipcg2_f_c_g) = rsub(kpcg2_f_c,k,m)*conv1a
else
gas(ipcg2_f_c_g) = 0.0
end if
if (kpcg3_f_c .ge. p1st) then
gas(ipcg3_f_c_g) = rsub(kpcg3_f_c,k,m)*conv1a
else
gas(ipcg3_f_c_g) = 0.0
end if
if (kpcg4_f_c .ge. p1st) then
gas(ipcg4_f_c_g) = rsub(kpcg4_f_c,k,m)*conv1a
else
gas(ipcg4_f_c_g) = 0.0
end if
if (kpcg5_f_c .ge. p1st) then
gas(ipcg5_f_c_g) = rsub(kpcg5_f_c,k,m)*conv1a
else
gas(ipcg5_f_c_g) = 0.0
end if
if (kpcg6_f_c .ge. p1st) then
gas(ipcg6_f_c_g) = rsub(kpcg6_f_c,k,m)*conv1a
else
gas(ipcg6_f_c_g) = 0.0
end if
if (kpcg7_f_c .ge. p1st) then
gas(ipcg7_f_c_g) = rsub(kpcg7_f_c,k,m)*conv1a
else
gas(ipcg7_f_c_g) = 0.0
end if
if (kpcg8_f_c .ge. p1st) then
gas(ipcg8_f_c_g) = rsub(kpcg8_f_c,k,m)*conv1a
else
gas(ipcg8_f_c_g) = 0.0
end if
if (kpcg9_f_c .ge. p1st) then
gas(ipcg9_f_c_g) = rsub(kpcg9_f_c,k,m)*conv1a
else
gas(ipcg9_f_c_g) = 0.0
end if
if (kpcg1_f_o .ge. p1st) then
gas(ipcg1_f_o_g) = rsub(kpcg1_f_o,k,m)*conv1a
else
gas(ipcg1_f_o_g) = 0.0
end if
if (kpcg2_f_o .ge. p1st) then
gas(ipcg2_f_o_g) = rsub(kpcg2_f_o,k,m)*conv1a
else
gas(ipcg2_f_o_g) = 0.0
end if
if (kpcg3_f_o .ge. p1st) then
gas(ipcg3_f_o_g) = rsub(kpcg3_f_o,k,m)*conv1a
else
gas(ipcg3_f_o_g) = 0.0
end if
if (kpcg4_f_o .ge. p1st) then
gas(ipcg4_f_o_g) = rsub(kpcg4_f_o,k,m)*conv1a
else
gas(ipcg4_f_o_g) = 0.0
end if
if (kpcg5_f_o .ge. p1st) then
gas(ipcg5_f_o_g) = rsub(kpcg5_f_o,k,m)*conv1a
else
gas(ipcg5_f_o_g) = 0.0
end if
if (kpcg6_f_o .ge. p1st) then
gas(ipcg6_f_o_g) = rsub(kpcg6_f_o,k,m)*conv1a
else
gas(ipcg6_f_o_g) = 0.0
end if
if (kpcg7_f_o .ge. p1st) then
gas(ipcg7_f_o_g) = rsub(kpcg7_f_o,k,m)*conv1a
else
gas(ipcg7_f_o_g) = 0.0
end if
if (kpcg8_f_o .ge. p1st) then
gas(ipcg8_f_o_g) = rsub(kpcg8_f_o,k,m)*conv1a
else
gas(ipcg8_f_o_g) = 0.0
end if
if (kpcg9_f_o .ge. p1st) then
gas(ipcg9_f_o_g) = rsub(kpcg9_f_o,k,m)*conv1a
else
gas(ipcg9_f_o_g) = 0.0
end if
if (kopcg1_f_c .ge. p1st) then
gas(iopcg1_f_c_g) = rsub(kopcg1_f_c,k,m)*conv1a
else
gas(iopcg1_f_c_g) = 0.0
end if
if (kopcg2_f_c .ge. p1st) then
gas(iopcg2_f_c_g) = rsub(kopcg2_f_c,k,m)*conv1a
else
gas(iopcg2_f_c_g) = 0.0
end if
if (kopcg3_f_c .ge. p1st) then
gas(iopcg3_f_c_g) = rsub(kopcg3_f_c,k,m)*conv1a
else
gas(iopcg3_f_c_g) = 0.0
end if
if (kopcg4_f_c .ge. p1st) then
gas(iopcg4_f_c_g) = rsub(kopcg4_f_c,k,m)*conv1a
else
gas(iopcg4_f_c_g) = 0.0
end if
if (kopcg5_f_c .ge. p1st) then
gas(iopcg5_f_c_g) = rsub(kopcg5_f_c,k,m)*conv1a
else
gas(iopcg5_f_c_g) = 0.0
end if
if (kopcg6_f_c .ge. p1st) then
gas(iopcg6_f_c_g) = rsub(kopcg6_f_c,k,m)*conv1a
else
gas(iopcg6_f_c_g) = 0.0
end if
if (kopcg7_f_c .ge. p1st) then
gas(iopcg7_f_c_g) = rsub(kopcg7_f_c,k,m)*conv1a
else
gas(iopcg7_f_c_g) = 0.0
end if
if (kopcg8_f_c .ge. p1st) then
gas(iopcg8_f_c_g) = rsub(kopcg8_f_c,k,m)*conv1a
else
gas(iopcg8_f_c_g) = 0.0
end if
if (kopcg1_f_o .ge. p1st) then
gas(iopcg1_f_o_g) = rsub(kopcg1_f_o,k,m)*conv1a
else
gas(iopcg1_f_o_g) = 0.0
end if
if (kopcg2_f_o .ge. p1st) then
gas(iopcg2_f_o_g) = rsub(kopcg2_f_o,k,m)*conv1a
else
gas(iopcg2_f_o_g) = 0.0
end if
if (kopcg3_f_o .ge. p1st) then
gas(iopcg3_f_o_g) = rsub(kopcg3_f_o,k,m)*conv1a
else
gas(iopcg3_f_o_g) = 0.0
end if
if (kopcg4_f_o .ge. p1st) then
gas(iopcg4_f_o_g) = rsub(kopcg4_f_o,k,m)*conv1a
else
gas(iopcg4_f_o_g) = 0.0
end if
if (kopcg5_f_o .ge. p1st) then
gas(iopcg5_f_o_g) = rsub(kopcg5_f_o,k,m)*conv1a
else
gas(iopcg5_f_o_g) = 0.0
end if
if (kopcg6_f_o .ge. p1st) then
gas(iopcg6_f_o_g) = rsub(kopcg6_f_o,k,m)*conv1a
else
gas(iopcg6_f_o_g) = 0.0
end if
if (kopcg7_f_o .ge. p1st) then
gas(iopcg7_f_o_g) = rsub(kopcg7_f_o,k,m)*conv1a
else
gas(iopcg7_f_o_g) = 0.0
end if
if (kopcg8_f_o .ge. p1st) then
gas(iopcg8_f_o_g) = rsub(kopcg8_f_o,k,m)*conv1a
else
gas(iopcg8_f_o_g) = 0.0
end if
if (ksmpa .ge. p1st) then
gas(ismpa_g) = rsub(ksmpa,k,m)*conv1a
else
gas(ismpa_g) = 0.0
end if
if (ksmpbb .ge. p1st) then
gas(ismpbb_g) = rsub(ksmpbb,k,m)*conv1a
else
gas(ismpbb_g) = 0.0
end if
if (kgly .ge. p1st) then
gas(igly) = rsub(kgly,k,m)*conv1a
else
gas(igly) = 0.0
end if
if (koh .ge. p1st) then
gas(iho) = rsub(koh,k,m)*conv1a
else
gas(koh) = 0.0
end if
if (kant1_c .ge. p1st) then
gas(iant1_c_g) = rsub(kant1_c,k,m)*conv1a
else
gas(iant1_c_g) = 0.0
end if
if (kant2_c .ge. p1st) then
gas(iant2_c_g) = rsub(kant2_c,k,m)*conv1a
else
gas(iant2_c_g) = 0.0
end if
if (kant3_c .ge. p1st) then
gas(iant3_c_g) = rsub(kant3_c,k,m)*conv1a
else
gas(iant3_c_g) = 0.0
end if
if (kant4_c .ge. p1st) then
gas(iant4_c_g) = rsub(kant4_c,k,m)*conv1a
else
gas(iant4_c_g) = 0.0
end if
if (kant1_o .ge. p1st) then
gas(iant1_o_g) = rsub(kant1_o,k,m)*conv1a
else
gas(iant1_o_g) = 0.0
end if
if (kant2_o .ge. p1st) then
gas(iant2_o_g) = rsub(kant2_o,k,m)*conv1a
else
gas(iant2_o_g) = 0.0
end if
if (kant3_o .ge. p1st) then
gas(iant3_o_g) = rsub(kant3_o,k,m)*conv1a
else
gas(iant3_o_g) = 0.0
end if
if (kant4_o .ge. p1st) then
gas(iant4_o_g) = rsub(kant4_o,k,m)*conv1a
else
gas(iant4_o_g) = 0.0
end if
if (kbiog1_c .ge. p1st) then
gas(ibiog1_c_g) = rsub(kbiog1_c,k,m)*conv1a
else
gas(ibiog1_c_g) = 0.0
end if
if (kbiog2_c .ge. p1st) then
gas(ibiog2_c_g) = rsub(kbiog2_c,k,m)*conv1a
else
gas(ibiog2_c_g) = 0.0
end if
if (kbiog3_c .ge. p1st) then
gas(ibiog3_c_g) = rsub(kbiog3_c,k,m)*conv1a
else
gas(ibiog3_c_g) = 0.0
end if
if (kbiog4_c .ge. p1st) then
gas(ibiog4_c_g) = rsub(kbiog4_c,k,m)*conv1a
else
gas(ibiog4_c_g) = 0.0
end if
if (kbiog1_o .ge. p1st) then
gas(ibiog1_o_g) = rsub(kbiog1_o,k,m)*conv1a
else
gas(ibiog1_o_g) = 0.0
end if
if (kbiog2_o .ge. p1st) then
gas(ibiog2_o_g) = rsub(kbiog2_o,k,m)*conv1a
else
gas(ibiog2_o_g) = 0.0
end if
if (kbiog3_o .ge. p1st) then
gas(ibiog3_o_g) = rsub(kbiog3_o,k,m)*conv1a
else
gas(ibiog3_o_g) = 0.0
end if
if (kbiog4_o .ge. p1st) then
gas(ibiog4_o_g) = rsub(kbiog4_o,k,m)*conv1a
else
gas(ibiog4_o_g) = 0.0
end if
if (kasoaX .ge. p1st) then
gas(iasoaX_g) = rsub(kasoaX,k,m)*conv1a
else
gas(iasoaX_g) = 0.0
end if
if (kasoa1 .ge. p1st) then
gas(iasoa1_g) = rsub(kasoa1,k,m)*conv1a
else
gas(iasoa1_g) = 0.0
end if
if (kasoa2 .ge. p1st) then
gas(iasoa2_g) = rsub(kasoa2,k,m)*conv1a
else
gas(iasoa2_g) = 0.0
end if
if (kasoa3 .ge. p1st) then
gas(iasoa3_g) = rsub(kasoa3,k,m)*conv1a
else
gas(iasoa3_g) = 0.0
end if
if (kasoa4 .ge. p1st) then
gas(iasoa4_g) = rsub(kasoa4,k,m)*conv1a
else
gas(iasoa4_g) = 0.0
end if
if (kbsoaX .ge. p1st) then
gas(ibsoaX_g) = rsub(kbsoaX,k,m)*conv1a
else
gas(ibsoaX_g) = 0.0
end if
if (kbsoa1 .ge. p1st) then
gas(ibsoa1_g) = rsub(kbsoa1,k,m)*conv1a
else
gas(ibsoa1_g) = 0.0
end if
if (kbsoa2 .ge. p1st) then
gas(ibsoa2_g) = rsub(kbsoa2,k,m)*conv1a
else
gas(ibsoa2_g) = 0.0
end if
if (kbsoa3 .ge. p1st) then
gas(ibsoa3_g) = rsub(kbsoa3,k,m)*conv1a
else
gas(ibsoa3_g) = 0.0
end if
if (kbsoa4 .ge. p1st) then
gas(ibsoa4_g) = rsub(kbsoa4,k,m)*conv1a
else
gas(ibsoa4_g) = 0.0
end if
! aerosol
iphase = ai_phase
ibin = 0
do 10 itype = 1, ntype_aer
do 10 isize = 1, nsize_aer(itype)
ibin = ibin + 1
! aer array units are nmol/(m^3 air)
! rce 18-nov-2004 - always map so4 and number,
! but only map other species when (lptr_xxx .ge. p1st)
! rce 11-may-2006 - so4 mapping now optional
l = lptr_so4_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iso4_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iso4_a,jtotal,ibin)=0.0
end if
l = lptr_no3_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ino3_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ino3_a,jtotal,ibin)=0.0
end if
l = lptr_cl_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(icl_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(icl_a,jtotal,ibin)=0.0
end if
l = lptr_nh4_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(inh4_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(inh4_a,jtotal,ibin)=0.0
end if
l = lptr_oc_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ioc_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ioc_a,jtotal,ibin)=0.0
end if
l = lptr_bc_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ibc_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ibc_a,jtotal,ibin)=0.0
end if
l = lptr_na_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ina_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ina_a,jtotal,ibin)=0.0
end if
l = lptr_oin_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ioin_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ioin_a,jtotal,ibin)=0.0
end if
l = lptr_msa_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(imsa_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(imsa_a,jtotal,ibin)=0.0
end if
l = lptr_co3_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ico3_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ico3_a,jtotal,ibin)=0.0
end if
l = lptr_ca_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ica_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ica_a,jtotal,ibin)=0.0
end if
! soa aerosol-phase species -- currently deactivated
l = lptr_pcg1_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg1_b_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg1_b_c_a,jtotal,ibin)=0.0
end if
l = lptr_pcg2_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg2_b_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg2_b_c_a,jtotal,ibin)=0.0
end if
l = lptr_pcg3_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg3_b_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg3_b_c_a,jtotal,ibin)=0.0
end if
l = lptr_pcg4_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg4_b_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg4_b_c_a,jtotal,ibin)=0.0
end if
l = lptr_pcg5_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg5_b_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg5_b_c_a,jtotal,ibin)=0.0
end if
l = lptr_pcg6_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg6_b_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg6_b_c_a,jtotal,ibin)=0.0
end if
l = lptr_pcg7_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg7_b_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg7_b_c_a,jtotal,ibin)=0.0
end if
l = lptr_pcg8_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg8_b_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg8_b_c_a,jtotal,ibin)=0.0
end if
l = lptr_pcg9_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg9_b_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg9_b_c_a,jtotal,ibin)=0.0
end if
l = lptr_pcg1_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg1_b_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg1_b_o_a,jtotal,ibin)=0.0
end if
l = lptr_pcg2_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg2_b_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg2_b_o_a,jtotal,ibin)=0.0
end if
l = lptr_pcg3_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg3_b_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg3_b_o_a,jtotal,ibin)=0.0
end if
l = lptr_pcg4_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg4_b_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg4_b_o_a,jtotal,ibin)=0.0
end if
l = lptr_pcg5_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg5_b_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg5_b_o_a,jtotal,ibin)=0.0
end if
l = lptr_pcg6_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg6_b_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg6_b_o_a,jtotal,ibin)=0.0
end if
l = lptr_pcg7_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg7_b_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg7_b_o_a,jtotal,ibin)=0.0
end if
l = lptr_pcg8_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg8_b_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg8_b_o_a,jtotal,ibin)=0.0
end if
l = lptr_pcg9_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg9_b_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg9_b_o_a,jtotal,ibin)=0.0
end if
l = lptr_opcg1_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg1_b_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg1_b_c_a,jtotal,ibin)=0.0
end if
l = lptr_opcg2_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg2_b_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg2_b_c_a,jtotal,ibin)=0.0
end if
l = lptr_opcg3_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg3_b_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg3_b_c_a,jtotal,ibin)=0.0
end if
l = lptr_opcg4_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg4_b_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg4_b_c_a,jtotal,ibin)=0.0
end if
l = lptr_opcg5_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg5_b_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg5_b_c_a,jtotal,ibin)=0.0
end if
l = lptr_opcg6_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg6_b_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg6_b_c_a,jtotal,ibin)=0.0
end if
l = lptr_opcg7_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg7_b_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg7_b_c_a,jtotal,ibin)=0.0
end if
l = lptr_opcg8_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg8_b_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg8_b_c_a,jtotal,ibin)=0.0
end if
l = lptr_opcg1_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg1_b_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg1_b_o_a,jtotal,ibin)=0.0
end if
l = lptr_opcg2_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg2_b_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg2_b_o_a,jtotal,ibin)=0.0
end if
l = lptr_opcg3_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg3_b_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg3_b_o_a,jtotal,ibin)=0.0
end if
l = lptr_opcg4_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg4_b_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg4_b_o_a,jtotal,ibin)=0.0
end if
l = lptr_opcg5_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg5_b_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg5_b_o_a,jtotal,ibin)=0.0
end if
l = lptr_opcg6_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg6_b_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg6_b_o_a,jtotal,ibin)=0.0
end if
l = lptr_opcg7_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg7_b_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg7_b_o_a,jtotal,ibin)=0.0
end if
l = lptr_opcg8_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg8_b_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg8_b_o_a,jtotal,ibin)=0.0
end if
l = lptr_pcg1_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg1_f_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg1_f_c_a,jtotal,ibin)=0.0
end if
l = lptr_pcg2_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg2_f_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg2_f_c_a,jtotal,ibin)=0.0
end if
l = lptr_pcg3_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg3_f_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg3_f_c_a,jtotal,ibin)=0.0
end if
l = lptr_pcg4_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg4_f_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg4_f_c_a,jtotal,ibin)=0.0
end if
l = lptr_pcg5_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg5_f_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg5_f_c_a,jtotal,ibin)=0.0
end if
l = lptr_pcg6_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg6_f_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg6_f_c_a,jtotal,ibin)=0.0
end if
l = lptr_pcg7_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg7_f_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg7_f_c_a,jtotal,ibin)=0.0
end if
l = lptr_pcg8_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg8_f_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg8_f_c_a,jtotal,ibin)=0.0
end if
l = lptr_pcg9_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg9_f_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg9_f_c_a,jtotal,ibin)=0.0
end if
l = lptr_pcg1_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg1_f_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg1_f_o_a,jtotal,ibin)=0.0
end if
l = lptr_pcg2_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg2_f_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg2_f_o_a,jtotal,ibin)=0.0
end if
l = lptr_pcg3_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg3_f_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg3_f_o_a,jtotal,ibin)=0.0
end if
l = lptr_pcg4_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg4_f_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg4_f_o_a,jtotal,ibin)=0.0
end if
l = lptr_pcg5_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg5_f_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg5_f_o_a,jtotal,ibin)=0.0
end if
l = lptr_pcg6_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg6_f_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg6_f_o_a,jtotal,ibin)=0.0
end if
l = lptr_pcg7_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg7_f_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg7_f_o_a,jtotal,ibin)=0.0
end if
l = lptr_pcg8_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg8_f_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg8_f_o_a,jtotal,ibin)=0.0
end if
l = lptr_pcg9_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ipcg9_f_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ipcg9_f_o_a,jtotal,ibin)=0.0
end if
l = lptr_opcg1_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg1_f_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg1_f_c_a,jtotal,ibin)=0.0
end if
l = lptr_opcg2_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg2_f_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg2_f_c_a,jtotal,ibin)=0.0
end if
l = lptr_opcg3_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg3_f_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg3_f_c_a,jtotal,ibin)=0.0
end if
l = lptr_opcg4_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg4_f_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg4_f_c_a,jtotal,ibin)=0.0
end if
l = lptr_opcg5_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg5_f_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg5_f_c_a,jtotal,ibin)=0.0
end if
l = lptr_opcg6_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg6_f_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg6_f_c_a,jtotal,ibin)=0.0
end if
l = lptr_opcg7_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg7_f_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg7_f_c_a,jtotal,ibin)=0.0
end if
l = lptr_opcg8_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg8_f_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg8_f_c_a,jtotal,ibin)=0.0
end if
l = lptr_opcg1_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg1_f_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg1_f_o_a,jtotal,ibin)=0.0
end if
l = lptr_opcg2_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg2_f_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg2_f_o_a,jtotal,ibin)=0.0
end if
l = lptr_opcg3_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg3_f_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg3_f_o_a,jtotal,ibin)=0.0
end if
l = lptr_opcg4_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg4_f_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg4_f_o_a,jtotal,ibin)=0.0
end if
l = lptr_opcg5_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg5_f_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg5_f_o_a,jtotal,ibin)=0.0
end if
l = lptr_opcg6_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg6_f_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg6_f_o_a,jtotal,ibin)=0.0
end if
l = lptr_opcg7_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg7_f_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg7_f_o_a,jtotal,ibin)=0.0
end if
l = lptr_opcg8_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iopcg8_f_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iopcg8_f_o_a,jtotal,ibin)=0.0
end if
l = lptr_smpa_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ismpa_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ismpa_a,jtotal,ibin)=0.0
end if
l = lptr_smpbb_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ismpbb_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ismpbb_a,jtotal,ibin)=0.0
end if
l = lptr_glysoa_r1_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iglysoa_r1_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iglysoa_r1_a,jtotal,ibin)=0.0
end if
l = lptr_glysoa_r2_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iglysoa_r2_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iglysoa_r2_a,jtotal,ibin)=0.0
end if
l = lptr_glysoa_sfc_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iglysoa_sfc_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iglysoa_sfc_a,jtotal,ibin)=0.0
end if
l = lptr_glysoa_nh4_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iglysoa_nh4_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iglysoa_nh4_a,jtotal,ibin)=0.0
end if
l = lptr_glysoa_oh_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iglysoa_oh_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iglysoa_oh_a,jtotal,ibin)=0.0
end if
l = lptr_ant1_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iant1_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iant1_c_a,jtotal,ibin)=0.0
end if
l = lptr_ant2_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iant2_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iant2_c_a,jtotal,ibin)=0.0
end if
l = lptr_ant3_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iant3_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iant3_c_a,jtotal,ibin)=0.0
end if
l = lptr_ant4_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iant4_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iant4_c_a,jtotal,ibin)=0.0
end if
l = lptr_ant1_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iant1_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iant1_o_a,jtotal,ibin)=0.0
end if
l = lptr_ant2_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iant2_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iant2_o_a,jtotal,ibin)=0.0
end if
l = lptr_ant3_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iant3_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iant3_o_a,jtotal,ibin)=0.0
end if
l = lptr_ant4_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iant4_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iant4_o_a,jtotal,ibin)=0.0
end if
l = lptr_biog1_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ibiog1_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ibiog1_c_a,jtotal,ibin)=0.0
end if
l = lptr_biog2_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ibiog2_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ibiog2_c_a,jtotal,ibin)=0.0
end if
l = lptr_biog3_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ibiog3_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ibiog3_c_a,jtotal,ibin)=0.0
end if
l = lptr_biog4_c_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ibiog4_c_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ibiog4_c_a,jtotal,ibin)=0.0
end if
l = lptr_biog1_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ibiog1_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ibiog1_o_a,jtotal,ibin)=0.0
end if
l = lptr_biog2_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ibiog2_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ibiog2_o_a,jtotal,ibin)=0.0
end if
l = lptr_biog3_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ibiog3_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ibiog3_o_a,jtotal,ibin)=0.0
end if
l = lptr_biog4_o_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ibiog4_o_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ibiog4_o_a,jtotal,ibin)=0.0
end if
l = lptr_asoaX_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iasoaX_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iasoaX_a,jtotal,ibin)=0.0
end if
l = lptr_asoa1_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iasoa1_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iasoa1_a,jtotal,ibin)=0.0
end if
l = lptr_asoa2_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iasoa2_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iasoa2_a,jtotal,ibin)=0.0
end if
l = lptr_asoa3_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iasoa3_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iasoa3_a,jtotal,ibin)=0.0
end if
l = lptr_asoa4_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(iasoa4_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(iasoa4_a,jtotal,ibin)=0.0
end if
l = lptr_bsoaX_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ibsoaX_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ibsoaX_a,jtotal,ibin)=0.0
end if
l = lptr_bsoa1_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ibsoa1_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ibsoa1_a,jtotal,ibin)=0.0
end if
l = lptr_bsoa2_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ibsoa2_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ibsoa2_a,jtotal,ibin)=0.0
end if
l = lptr_bsoa3_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ibsoa3_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ibsoa3_a,jtotal,ibin)=0.0
end if
l = lptr_bsoa4_aer(isize,itype,iphase)
if (l .ge. p1st) then
aer(ibsoa4_a,jtotal,ibin)=rsub(l,k,m)*conv1a
else
aer(ibsoa4_a,jtotal,ibin)=0.0
end if
! water_a and water_a_hyst units are kg/(m^3 air)
l = hyswptr_aer(isize,itype)
if (l .ge. p1st) then
water_a_hyst(ibin)=rsub(l,k,m)*conv2a
else
water_a_hyst(ibin)=0.0
end if
! water_a units are kg/(m^3 air)
l = waterptr_aer(isize,itype)
if (l .ge. p1st) then
water_a(ibin)=rsub(l,k,m)*conv2a
else
water_a(ibin)=0.0
end if
! num_a units are #/(cm^3 air)
l = numptr_aer(isize,itype,iphase)
num_a(ibin) = rsub(l,k,m)*cair_mol_cc
! other bin parameters (fixed for now)
sigmag_a(ibin) = 1.02
10 continue
!---------------------------------------------------------------------
else ! map aer & gas (nmol/m^3) back into rsub (mol/mol(air))
! gas
if (kh2so4 .ge. p1st) &
rsub(kh2so4,k,m) = gas(ih2so4_g)*conv1b
if (khno3 .ge. p1st) &
rsub(khno3,k,m) = gas(ihno3_g)*conv1b
if (khcl .ge. p1st) &
rsub(khcl,k,m) = gas(ihcl_g)*conv1b
if (knh3 .ge. p1st) &
rsub(knh3,k,m) = gas(inh3_g)*conv1b
if (kn2o5 .ge. p1st) &
rsub(kn2o5,k,m) = gas(in2o5_g)*conv1b
if (kclno2 .ge. p1st) &
rsub(kclno2,k,m) = gas(iclno2_g)*conv1b
! soa gas-phase species -- currently deactivated
if (kpcg1_b_c .ge. p1st) &
rsub(kpcg1_b_c,k,m) = gas(ipcg1_b_c_g)*conv1b
if (kpcg2_b_c .ge. p1st) &
rsub(kpcg2_b_c,k,m) = gas(ipcg2_b_c_g)*conv1b
if (kpcg3_b_c .ge. p1st) &
rsub(kpcg3_b_c,k,m) = gas(ipcg3_b_c_g)*conv1b
if (kpcg4_b_c .ge. p1st) &
rsub(kpcg4_b_c,k,m) = gas(ipcg4_b_c_g)*conv1b
if (kpcg5_b_c .ge. p1st) &
rsub(kpcg5_b_c,k,m) = gas(ipcg5_b_c_g)*conv1b
if (kpcg6_b_c .ge. p1st) &
rsub(kpcg6_b_c,k,m) = gas(ipcg6_b_c_g)*conv1b
if (kpcg7_b_c .ge. p1st) &
rsub(kpcg7_b_c,k,m) = gas(ipcg7_b_c_g)*conv1b
if (kpcg8_b_c .ge. p1st) &
rsub(kpcg8_b_c,k,m) = gas(ipcg8_b_c_g)*conv1b
if (kpcg9_b_c .ge. p1st) &
rsub(kpcg9_b_c,k,m) = gas(ipcg9_b_c_g)*conv1b
if (kpcg1_b_o .ge. p1st) &
rsub(kpcg1_b_o,k,m) = gas(ipcg1_b_o_g)*conv1b
if (kpcg2_b_o .ge. p1st) &
rsub(kpcg2_b_o,k,m) = gas(ipcg2_b_o_g)*conv1b
if (kpcg3_b_o .ge. p1st) &
rsub(kpcg3_b_o,k,m) = gas(ipcg3_b_o_g)*conv1b
if (kpcg4_b_o .ge. p1st) &
rsub(kpcg4_b_o,k,m) = gas(ipcg4_b_o_g)*conv1b
if (kpcg5_b_o .ge. p1st) &
rsub(kpcg5_b_o,k,m) = gas(ipcg5_b_o_g)*conv1b
if (kpcg6_b_o .ge. p1st) &
rsub(kpcg6_b_o,k,m) = gas(ipcg6_b_o_g)*conv1b
if (kpcg7_b_o .ge. p1st) &
rsub(kpcg7_b_o,k,m) = gas(ipcg7_b_o_g)*conv1b
if (kpcg8_b_o .ge. p1st) &
rsub(kpcg8_b_o,k,m) = gas(ipcg8_b_o_g)*conv1b
if (kpcg9_b_o .ge. p1st) &
rsub(kpcg9_b_o,k,m) = gas(ipcg9_b_o_g)*conv1b
if (kopcg1_b_c .ge. p1st) &
rsub(kopcg1_b_c,k,m) = gas(iopcg1_b_c_g)*conv1b
if (kopcg2_b_c .ge. p1st) &
rsub(kopcg2_b_c,k,m) = gas(iopcg2_b_c_g)*conv1b
if (kopcg3_b_c .ge. p1st) &
rsub(kopcg3_b_c,k,m) = gas(iopcg3_b_c_g)*conv1b
if (kopcg4_b_c .ge. p1st) &
rsub(kopcg4_b_c,k,m) = gas(iopcg4_b_c_g)*conv1b
if (kopcg5_b_c .ge. p1st) &
rsub(kopcg5_b_c,k,m) = gas(iopcg5_b_c_g)*conv1b
if (kopcg6_b_c .ge. p1st) &
rsub(kopcg6_b_c,k,m) = gas(iopcg6_b_c_g)*conv1b
if (kopcg7_b_c .ge. p1st) &
rsub(kopcg7_b_c,k,m) = gas(iopcg7_b_c_g)*conv1b
if (kopcg8_b_c .ge. p1st) &
rsub(kopcg8_b_c,k,m) = gas(iopcg8_b_c_g)*conv1b
if (kopcg1_b_o .ge. p1st) &
rsub(kopcg1_b_o,k,m) = gas(iopcg1_b_o_g)*conv1b
if (kopcg2_b_o .ge. p1st) &
rsub(kopcg2_b_o,k,m) = gas(iopcg2_b_o_g)*conv1b
if (kopcg3_b_o .ge. p1st) &
rsub(kopcg3_b_o,k,m) = gas(iopcg3_b_o_g)*conv1b
if (kopcg4_b_o .ge. p1st) &
rsub(kopcg4_b_o,k,m) = gas(iopcg4_b_o_g)*conv1b
if (kopcg5_b_o .ge. p1st) &
rsub(kopcg5_b_o,k,m) = gas(iopcg5_b_o_g)*conv1b
if (kopcg6_b_o .ge. p1st) &
rsub(kopcg6_b_o,k,m) = gas(iopcg6_b_o_g)*conv1b
if (kopcg7_b_o .ge. p1st) &
rsub(kopcg7_b_o,k,m) = gas(iopcg7_b_o_g)*conv1b
if (kopcg8_b_o .ge. p1st) &
rsub(kopcg8_b_o,k,m) = gas(iopcg8_b_o_g)*conv1b
if (kpcg1_f_c .ge. p1st) &
rsub(kpcg1_f_c,k,m) = gas(ipcg1_f_c_g)*conv1b
if (kpcg2_f_c .ge. p1st) &
rsub(kpcg2_f_c,k,m) = gas(ipcg2_f_c_g)*conv1b
if (kpcg3_f_c .ge. p1st) &
rsub(kpcg3_f_c,k,m) = gas(ipcg3_f_c_g)*conv1b
if (kpcg4_f_c .ge. p1st) &
rsub(kpcg4_f_c,k,m) = gas(ipcg4_f_c_g)*conv1b
if (kpcg5_f_c .ge. p1st) &
rsub(kpcg5_f_c,k,m) = gas(ipcg5_f_c_g)*conv1b
if (kpcg6_f_c .ge. p1st) &
rsub(kpcg6_f_c,k,m) = gas(ipcg6_f_c_g)*conv1b
if (kpcg7_f_c .ge. p1st) &
rsub(kpcg7_f_c,k,m) = gas(ipcg7_f_c_g)*conv1b
if (kpcg8_f_c .ge. p1st) &
rsub(kpcg8_f_c,k,m) = gas(ipcg8_f_c_g)*conv1b
if (kpcg9_f_c .ge. p1st) &
rsub(kpcg9_f_c,k,m) = gas(ipcg9_f_c_g)*conv1b
if (kpcg1_f_o .ge. p1st) &
rsub(kpcg1_f_o,k,m) = gas(ipcg1_f_o_g)*conv1b
if (kpcg2_f_o .ge. p1st) &
rsub(kpcg2_f_o,k,m) = gas(ipcg2_f_o_g)*conv1b
if (kpcg3_f_o .ge. p1st) &
rsub(kpcg3_f_o,k,m) = gas(ipcg3_f_o_g)*conv1b
if (kpcg4_f_o .ge. p1st) &
rsub(kpcg4_f_o,k,m) = gas(ipcg4_f_o_g)*conv1b
if (kpcg5_f_o .ge. p1st) &
rsub(kpcg5_f_o,k,m) = gas(ipcg5_f_o_g)*conv1b
if (kpcg6_f_o .ge. p1st) &
rsub(kpcg6_f_o,k,m) = gas(ipcg6_f_o_g)*conv1b
if (kpcg7_f_o .ge. p1st) &
rsub(kpcg7_f_o,k,m) = gas(ipcg7_f_o_g)*conv1b
if (kpcg8_f_o .ge. p1st) &
rsub(kpcg8_f_o,k,m) = gas(ipcg8_f_o_g)*conv1b
if (kpcg9_f_o .ge. p1st) &
rsub(kpcg9_f_o,k,m) = gas(ipcg9_f_o_g)*conv1b
if (kopcg1_f_c .ge. p1st) &
rsub(kopcg1_f_c,k,m) = gas(iopcg1_f_c_g)*conv1b
if (kopcg2_f_c .ge. p1st) &
rsub(kopcg2_f_c,k,m) = gas(iopcg2_f_c_g)*conv1b
if (kopcg3_f_c .ge. p1st) &
rsub(kopcg3_f_c,k,m) = gas(iopcg3_f_c_g)*conv1b
if (kopcg4_f_c .ge. p1st) &
rsub(kopcg4_f_c,k,m) = gas(iopcg4_f_c_g)*conv1b
if (kopcg5_f_c .ge. p1st) &
rsub(kopcg5_f_c,k,m) = gas(iopcg5_f_c_g)*conv1b
if (kopcg6_f_c .ge. p1st) &
rsub(kopcg6_f_c,k,m) = gas(iopcg6_f_c_g)*conv1b
if (kopcg7_f_c .ge. p1st) &
rsub(kopcg7_f_c,k,m) = gas(iopcg7_f_c_g)*conv1b
if (kopcg8_f_c .ge. p1st) &
rsub(kopcg8_f_c,k,m) = gas(iopcg8_f_c_g)*conv1b
if (kopcg1_f_o .ge. p1st) &
rsub(kopcg1_f_o,k,m) = gas(iopcg1_f_o_g)*conv1b
if (kopcg2_f_o .ge. p1st) &
rsub(kopcg2_f_o,k,m) = gas(iopcg2_f_o_g)*conv1b
if (kopcg3_f_o .ge. p1st) &
rsub(kopcg3_f_o,k,m) = gas(iopcg3_f_o_g)*conv1b
if (kopcg4_f_o .ge. p1st) &
rsub(kopcg4_f_o,k,m) = gas(iopcg4_f_o_g)*conv1b
if (kopcg5_f_o .ge. p1st) &
rsub(kopcg5_f_o,k,m) = gas(iopcg5_f_o_g)*conv1b
if (kopcg6_f_o .ge. p1st) &
rsub(kopcg6_f_o,k,m) = gas(iopcg6_f_o_g)*conv1b
if (kopcg7_f_o .ge. p1st) &
rsub(kopcg7_f_o,k,m) = gas(iopcg7_f_o_g)*conv1b
if (kopcg8_f_o .ge. p1st) &
rsub(kopcg8_f_o,k,m) = gas(iopcg8_f_o_g)*conv1b
if (ksmpa .ge. p1st) &
rsub(ksmpa,k,m) = gas(ismpa_g)*conv1b
if (kgly .ge. p1st) &
rsub(kgly,k,m) = gas(igly)*conv1b
! CK 20120913 OH is only used as scaling quantity, not returned to gas array
!! if (koh .ge. p1st) &
!! rsub(koh,k,m) = gas(iho)*conv1b
if (ksmpbb .ge. p1st) &
rsub(ksmpbb,k,m) = gas(ismpbb_g)*conv1b
if (kant1_c .ge. p1st) &
rsub(kant1_c,k,m) = gas(iant1_c_g)*conv1b
if (kant2_c .ge. p1st) &
rsub(kant2_c,k,m) = gas(iant2_c_g)*conv1b
if (kant3_c .ge. p1st) &
rsub(kant3_c,k,m) = gas(iant3_c_g)*conv1b
if (kant4_c .ge. p1st) &
rsub(kant4_c,k,m) = gas(iant4_c_g)*conv1b
if (kant1_o .ge. p1st) &
rsub(kant1_o,k,m) = gas(iant1_o_g)*conv1b
if (kant2_o .ge. p1st) &
rsub(kant2_o,k,m) = gas(iant2_o_g)*conv1b
if (kant3_o .ge. p1st) &
rsub(kant3_o,k,m) = gas(iant3_o_g)*conv1b
if (kant4_o .ge. p1st) &
rsub(kant4_o,k,m) = gas(iant4_o_g)*conv1b
if (kbiog1_c .ge. p1st) &
rsub(kbiog1_c,k,m) = gas(ibiog1_c_g)*conv1b
if (kbiog2_c .ge. p1st) &
rsub(kbiog2_c,k,m) = gas(ibiog2_c_g)*conv1b
if (kbiog3_c .ge. p1st) &
rsub(kbiog3_c,k,m) = gas(ibiog3_c_g)*conv1b
if (kbiog4_c .ge. p1st) &
rsub(kbiog4_c,k,m) = gas(ibiog4_c_g)*conv1b
if (kbiog1_o .ge. p1st) &
rsub(kbiog1_o,k,m) = gas(ibiog1_o_g)*conv1b
if (kbiog2_o .ge. p1st) &
rsub(kbiog2_o,k,m) = gas(ibiog2_o_g)*conv1b
if (kbiog3_o .ge. p1st) &
rsub(kbiog3_o,k,m) = gas(ibiog3_o_g)*conv1b
if (kbiog4_o .ge. p1st) &
rsub(kbiog4_o,k,m) = gas(ibiog4_o_g)*conv1b
if (kasoaX .ge. p1st) &
rsub(kasoaX,k,m) = gas(iasoaX_g)*conv1b
if (kasoa1 .ge. p1st) &
rsub(kasoa1,k,m) = gas(iasoa1_g)*conv1b
if (kasoa2 .ge. p1st) &
rsub(kasoa2,k,m) = gas(iasoa2_g)*conv1b
if (kasoa3 .ge. p1st) &
rsub(kasoa3,k,m) = gas(iasoa3_g)*conv1b
if (kasoa4 .ge. p1st) &
rsub(kasoa4,k,m) = gas(iasoa4_g)*conv1b
if (kbsoaX .ge. p1st) &
rsub(kbsoaX,k,m) = gas(ibsoaX_g)*conv1b
if (kbsoa1 .ge. p1st) &
rsub(kbsoa1,k,m) = gas(ibsoa1_g)*conv1b
if (kbsoa2 .ge. p1st) &
rsub(kbsoa2,k,m) = gas(ibsoa2_g)*conv1b
if (kbsoa3 .ge. p1st) &
rsub(kbsoa3,k,m) = gas(ibsoa3_g)*conv1b
if (kbsoa4 .ge. p1st) &
rsub(kbsoa4,k,m) = gas(ibsoa4_g)*conv1b
! aerosol
iphase = ai_phase
ibin = 0
do 20 itype = 1, ntype_aer
do 20 isize = 1, nsize_aer(itype)
ibin = ibin + 1
! rce 18-nov-2004 - always map so4 and number,
! but only map other species when (lptr_xxx .ge. p1st)
l = lptr_so4_aer(isize,itype,iphase)
rsub(l,k,m) = aer(iso4_a,jtotal,ibin)*conv1b
l = lptr_no3_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ino3_a,jtotal,ibin)*conv1b
l = lptr_cl_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(icl_a,jtotal,ibin)*conv1b
l = lptr_nh4_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(inh4_a,jtotal,ibin)*conv1b
l = lptr_oc_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ioc_a,jtotal,ibin)*conv1b
l = lptr_bc_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ibc_a,jtotal,ibin)*conv1b
l = lptr_na_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ina_a,jtotal,ibin)*conv1b
l = lptr_oin_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ioin_a,jtotal,ibin)*conv1b
l = lptr_msa_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(imsa_a,jtotal,ibin)*conv1b
l = lptr_co3_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ico3_a,jtotal,ibin)*conv1b
l = lptr_ca_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ica_a,jtotal,ibin)*conv1b
! soa aerosol-phase species -- currently deactivated
l = lptr_pcg1_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg1_b_c_a,jtotal,ibin)*conv1b
l = lptr_pcg2_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg2_b_c_a,jtotal,ibin)*conv1b
l = lptr_pcg3_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg3_b_c_a,jtotal,ibin)*conv1b
l = lptr_pcg4_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg4_b_c_a,jtotal,ibin)*conv1b
l = lptr_pcg5_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg5_b_c_a,jtotal,ibin)*conv1b
l = lptr_pcg6_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg6_b_c_a,jtotal,ibin)*conv1b
l = lptr_pcg7_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg7_b_c_a,jtotal,ibin)*conv1b
l = lptr_pcg8_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg8_b_c_a,jtotal,ibin)*conv1b
l = lptr_pcg9_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg9_b_c_a,jtotal,ibin)*conv1b
l = lptr_pcg1_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg1_b_o_a,jtotal,ibin)*conv1b
l = lptr_pcg2_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg2_b_o_a,jtotal,ibin)*conv1b
l = lptr_pcg3_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg3_b_o_a,jtotal,ibin)*conv1b
l = lptr_pcg4_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg4_b_o_a,jtotal,ibin)*conv1b
l = lptr_pcg5_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg5_b_o_a,jtotal,ibin)*conv1b
l = lptr_pcg6_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg6_b_o_a,jtotal,ibin)*conv1b
l = lptr_pcg7_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg7_b_o_a,jtotal,ibin)*conv1b
l = lptr_pcg8_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg8_b_o_a,jtotal,ibin)*conv1b
l = lptr_pcg9_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg9_b_o_a,jtotal,ibin)*conv1b
l = lptr_opcg1_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg1_b_c_a,jtotal,ibin)*conv1b
l = lptr_opcg2_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg2_b_c_a,jtotal,ibin)*conv1b
l = lptr_opcg3_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg3_b_c_a,jtotal,ibin)*conv1b
l = lptr_opcg4_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg4_b_c_a,jtotal,ibin)*conv1b
l = lptr_opcg5_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg5_b_c_a,jtotal,ibin)*conv1b
l = lptr_opcg6_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg6_b_c_a,jtotal,ibin)*conv1b
l = lptr_opcg7_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg7_b_c_a,jtotal,ibin)*conv1b
l = lptr_opcg8_b_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg8_b_c_a,jtotal,ibin)*conv1b
l = lptr_opcg1_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg1_b_o_a,jtotal,ibin)*conv1b
l = lptr_opcg2_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg2_b_o_a,jtotal,ibin)*conv1b
l = lptr_opcg3_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg3_b_o_a,jtotal,ibin)*conv1b
l = lptr_opcg4_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg4_b_o_a,jtotal,ibin)*conv1b
l = lptr_opcg5_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg5_b_o_a,jtotal,ibin)*conv1b
l = lptr_opcg6_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg6_b_o_a,jtotal,ibin)*conv1b
l = lptr_opcg7_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg7_b_o_a,jtotal,ibin)*conv1b
l = lptr_opcg8_b_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg8_b_o_a,jtotal,ibin)*conv1b
l = lptr_pcg1_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg1_f_c_a,jtotal,ibin)*conv1b
l = lptr_pcg2_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg2_f_c_a,jtotal,ibin)*conv1b
l = lptr_pcg3_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg3_f_c_a,jtotal,ibin)*conv1b
l = lptr_pcg4_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg4_f_c_a,jtotal,ibin)*conv1b
l = lptr_pcg5_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg5_f_c_a,jtotal,ibin)*conv1b
l = lptr_pcg6_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg6_f_c_a,jtotal,ibin)*conv1b
l = lptr_pcg7_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg7_f_c_a,jtotal,ibin)*conv1b
l = lptr_pcg8_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg8_f_c_a,jtotal,ibin)*conv1b
l = lptr_pcg9_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg9_f_c_a,jtotal,ibin)*conv1b
l = lptr_pcg1_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg1_f_o_a,jtotal,ibin)*conv1b
l = lptr_pcg2_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg2_f_o_a,jtotal,ibin)*conv1b
l = lptr_pcg3_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg3_f_o_a,jtotal,ibin)*conv1b
l = lptr_pcg4_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg4_f_o_a,jtotal,ibin)*conv1b
l = lptr_pcg5_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg5_f_o_a,jtotal,ibin)*conv1b
l = lptr_pcg6_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg6_f_o_a,jtotal,ibin)*conv1b
l = lptr_pcg7_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg7_f_o_a,jtotal,ibin)*conv1b
l = lptr_pcg8_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg8_f_o_a,jtotal,ibin)*conv1b
l = lptr_pcg9_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ipcg9_f_o_a,jtotal,ibin)*conv1b
l = lptr_opcg1_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg1_f_c_a,jtotal,ibin)*conv1b
l = lptr_opcg2_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg2_f_c_a,jtotal,ibin)*conv1b
l = lptr_opcg3_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg3_f_c_a,jtotal,ibin)*conv1b
l = lptr_opcg4_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg4_f_c_a,jtotal,ibin)*conv1b
l = lptr_opcg5_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg5_f_c_a,jtotal,ibin)*conv1b
l = lptr_opcg6_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg6_f_c_a,jtotal,ibin)*conv1b
l = lptr_opcg7_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg7_f_c_a,jtotal,ibin)*conv1b
l = lptr_opcg8_f_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg8_f_c_a,jtotal,ibin)*conv1b
l = lptr_opcg1_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg1_f_o_a,jtotal,ibin)*conv1b
l = lptr_opcg2_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg2_f_o_a,jtotal,ibin)*conv1b
l = lptr_opcg3_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg3_f_o_a,jtotal,ibin)*conv1b
l = lptr_opcg4_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg4_f_o_a,jtotal,ibin)*conv1b
l = lptr_opcg5_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg5_f_o_a,jtotal,ibin)*conv1b
l = lptr_opcg6_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg6_f_o_a,jtotal,ibin)*conv1b
l = lptr_opcg7_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg7_f_o_a,jtotal,ibin)*conv1b
l = lptr_opcg8_f_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iopcg8_f_o_a,jtotal,ibin)*conv1b
l = lptr_smpa_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ismpa_a,jtotal,ibin)*conv1b
l = lptr_smpbb_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ismpbb_a,jtotal,ibin)*conv1b
l = lptr_glysoa_r1_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iglysoa_r1_a,jtotal,ibin)*conv1b
l = lptr_glysoa_r2_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iglysoa_r2_a,jtotal,ibin)*conv1b
l = lptr_glysoa_sfc_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iglysoa_sfc_a,jtotal,ibin)*conv1b
l = lptr_glysoa_nh4_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iglysoa_nh4_a,jtotal,ibin)*conv1b
l = lptr_glysoa_oh_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iglysoa_oh_a,jtotal,ibin)*conv1b
l = lptr_ant1_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iant1_c_a,jtotal,ibin)*conv1b
l = lptr_ant2_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iant2_c_a,jtotal,ibin)*conv1b
l = lptr_ant3_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iant3_c_a,jtotal,ibin)*conv1b
l = lptr_ant4_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iant4_c_a,jtotal,ibin)*conv1b
l = lptr_ant1_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iant1_o_a,jtotal,ibin)*conv1b
l = lptr_ant2_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iant2_o_a,jtotal,ibin)*conv1b
l = lptr_ant3_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iant3_o_a,jtotal,ibin)*conv1b
l = lptr_ant4_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iant4_o_a,jtotal,ibin)*conv1b
l = lptr_biog1_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ibiog1_c_a,jtotal,ibin)*conv1b
l = lptr_biog2_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ibiog2_c_a,jtotal,ibin)*conv1b
l = lptr_biog3_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ibiog3_c_a,jtotal,ibin)*conv1b
l = lptr_biog4_c_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ibiog4_c_a,jtotal,ibin)*conv1b
l = lptr_biog1_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ibiog1_o_a,jtotal,ibin)*conv1b
l = lptr_biog2_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ibiog2_o_a,jtotal,ibin)*conv1b
l = lptr_biog3_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ibiog3_o_a,jtotal,ibin)*conv1b
l = lptr_biog4_o_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ibiog4_o_a,jtotal,ibin)*conv1b
l = lptr_asoaX_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iasoaX_a,jtotal,ibin)*conv1b
l = lptr_asoa1_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iasoa1_a,jtotal,ibin)*conv1b
l = lptr_asoa2_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iasoa2_a,jtotal,ibin)*conv1b
l = lptr_asoa3_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iasoa3_a,jtotal,ibin)*conv1b
l = lptr_asoa4_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(iasoa4_a,jtotal,ibin)*conv1b
l = lptr_bsoaX_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ibsoaX_a,jtotal,ibin)*conv1b
l = lptr_bsoa1_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ibsoa1_a,jtotal,ibin)*conv1b
l = lptr_bsoa2_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ibsoa2_a,jtotal,ibin)*conv1b
l = lptr_bsoa3_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ibsoa3_a,jtotal,ibin)*conv1b
l = lptr_bsoa4_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = aer(ibsoa4_a,jtotal,ibin)*conv1b
l = hyswptr_aer(isize,itype)
if (l .ge. p1st) rsub(l,k,m) = water_a_hyst(ibin)*conv2b
l = waterptr_aer(isize,itype)
if (l .ge. p1st) rsub(l,k,m) = water_a(ibin)*conv2b
l = numptr_aer(isize,itype,iphase)
if (l .ge. p1st) rsub(l,k,m) = num_a(ibin)/cair_mol_cc
drymass_aftgrow(isize,itype) = mass_dry_a(ibin)/cair_mol_cc ! g/mol-air
if(jaerosolstate(ibin) .eq. no_aerosol) then
drydens_aftgrow(isize,itype) = -1.
else
drydens_aftgrow(isize,itype) = dens_dry_a(ibin) ! g/cc
end if
20 continue
endif
return
end subroutine map_mosaic_species
subroutine isize_itype_from_ibin( ibin, isize, itype )
!
! inside of mosaic, the '2d' (isize,itype) indexing is replaced
! by '1d' (ibin) indexing
! this routine gives (isize,itype) corresponding to (ibin)
!
use module_data_mosaic_asect
use module_data_mosaic_other, only: lunerr
! implicit none
! subr arguments
integer ibin, isize, itype
! local variables
integer jdum_bin, jdum_size, jdum_type
character*80 msg
isize = -999888777
itype = -999888777
jdum_bin = 0
do jdum_type = 1, ntype_aer
do jdum_size = 1, nsize_aer(jdum_type)
jdum_bin = jdum_bin + 1
if (ibin .eq. jdum_bin) then
isize = jdum_size
itype = jdum_type
end if
end do
end do
if (isize .le. 0) then
write(msg,'(a,1x,i5)') &
'*** subr isize_itype_from_ibin - bad ibin =', ibin
call peg_error_fatal( lunerr, msg )
end if
return
end subroutine isize_itype_from_ibin
subroutine overall_massbal_in
use module_data_mosaic_asect
use module_data_mosaic_other
! implicit none
! include 'mosaic.h'
integer ibin
tot_so4_in = gas(ih2so4_g)
tot_no3_in = gas(ihno3_g)
tot_cl_in = gas(ihcl_g)
tot_nh4_in = gas(inh3_g)
tot_na_in = 0.0
tot_ca_in = 0.0
do ibin = 1, nbin_a
tot_so4_in = tot_so4_in + aer(iso4_a,jtotal,ibin)
tot_no3_in = tot_no3_in + aer(ino3_a,jtotal,ibin)
tot_cl_in = tot_cl_in + aer(icl_a, jtotal,ibin)
tot_nh4_in = tot_nh4_in + aer(inh4_a,jtotal,ibin)
tot_na_in = tot_na_in + aer(ina_a,jtotal,ibin)
tot_ca_in = tot_ca_in + aer(ica_a,jtotal,ibin)
enddo
total_species(inh3_g) = tot_nh4_in
total_species(ihno3_g)= tot_no3_in
total_species(ihcl_g) = tot_cl_in
return
end subroutine overall_massbal_in
subroutine overall_massbal_out(mbin)
! implicit none
! include 'v33com'
! include 'v33com3'
! include 'v33com9a'
! include 'v33com9b'
! include 'mosaic.h'
! subr. agrument
integer mbin
! local variables
integer ibin
tot_so4_out = gas(ih2so4_g)
tot_no3_out = gas(ihno3_g)
tot_cl_out = gas(ihcl_g)
tot_nh4_out = gas(inh3_g)
tot_na_out = 0.0
tot_ca_out = 0.0
do ibin = 1, nbin_a
tot_so4_out = tot_so4_out + aer(iso4_a,jtotal,ibin)
tot_no3_out = tot_no3_out + aer(ino3_a,jtotal,ibin)
tot_cl_out = tot_cl_out + aer(icl_a,jtotal,ibin)
tot_nh4_out = tot_nh4_out + aer(inh4_a,jtotal,ibin)
tot_na_out = tot_na_out + aer(ina_a,jtotal,ibin)
tot_ca_out = tot_ca_out + aer(ica_a,jtotal,ibin)
enddo
diff_so4 = tot_so4_out - tot_so4_in
diff_no3 = tot_no3_out - tot_no3_in
diff_cl = tot_cl_out - tot_cl_in
diff_nh4 = tot_nh4_out - tot_nh4_in
diff_na = tot_na_out - tot_na_in
diff_ca = tot_ca_out - tot_ca_in
reldiff_so4 = 0.0
if(tot_so4_in .gt. 1.e-25 .or. tot_so4_out .gt. 1.e-25)then
reldiff_so4 = diff_so4/max(tot_so4_in, tot_so4_out)
endif
reldiff_no3 = 0.0
if(tot_no3_in .gt. 1.e-25 .or. tot_no3_out .gt. 1.e-25)then
reldiff_no3 = diff_no3/max(tot_no3_in, tot_no3_out)
endif
reldiff_cl = 0.0
if(tot_cl_in .gt. 1.e-25 .or. tot_cl_out .gt. 1.e-25)then
reldiff_cl = diff_cl/max(tot_cl_in, tot_cl_out)
endif
reldiff_nh4 = 0.0
if(tot_nh4_in .gt. 1.e-25 .or. tot_nh4_out .gt. 1.e-25)then
reldiff_nh4 = diff_nh4/max(tot_nh4_in, tot_nh4_out)
endif
reldiff_na = 0.0
if(tot_na_in .gt. 1.e-25 .or. tot_na_out .gt. 1.e-25)then
reldiff_na = diff_na/max(tot_na_in, tot_na_out)
endif
reldiff_ca = 0.0
if(tot_ca_in .gt. 1.e-25 .or. tot_ca_out .gt. 1.e-25)then
reldiff_ca = diff_ca/max(tot_ca_in, tot_ca_out)
endif
if( abs(reldiff_so4) .gt. 1.e-4 .or. &
abs(reldiff_no3) .gt. 1.e-4 .or. &
abs(reldiff_cl) .gt. 1.e-4 .or. &
abs(reldiff_nh4) .gt. 1.e-4 .or. &
abs(reldiff_na) .gt. 1.e-4 .or. &
abs(reldiff_ca) .gt. 1.e-4)then
if (iprint_mosaic_diag1 .gt. 0) then
if (iprint_input .eq. myes) then
write(6,*)'*** mbin = ', mbin, ' isteps = ', isteps_ASTEM
write(6,*)'reldiff_so4 = ', reldiff_so4
write(6,*)'reldiff_no3 = ', reldiff_no3
write(6,*)'reldiff_cl = ', reldiff_cl
write(6,*)'reldiff_nh4 = ', reldiff_nh4
write(6,*)'reldiff_na = ', reldiff_na
write(6,*)'reldiff_ca = ', reldiff_ca
call print_input
iprint_input = mno
endif
endif
endif
return
end subroutine overall_massbal_out
subroutine print_input
use module_data_mosaic_asect
use module_data_mosaic_other
! implicit none
! include 'v33com'
! include 'v33com3'
! include 'v33com9a'
! include 'v33com9b'
! include 'mosaic.h'
! subr arguments
integer k, m
! local variables
integer ibin, iphase, isize, itype
integer ipasstmp, luntmp
! check for print_input allowed and not already done
if (iprint_mosaic_input_ok .le. 0) return
if (iprint_input .ne. myes) return
iprint_input = mno
k = kclm_aer
m = mclm_aer
tot_so4_out = gas(ih2so4_g)
tot_no3_out = gas(ihno3_g)
tot_cl_out = gas(ihcl_g)
tot_nh4_out = gas(inh3_g)
tot_na_out = 0.0
tot_ca_out = 0.0
do ibin = 1, nbin_a
tot_so4_out = tot_so4_out + aer(iso4_a,jtotal,ibin)
tot_no3_out = tot_no3_out + aer(ino3_a,jtotal,ibin)
tot_cl_out = tot_cl_out + aer(icl_a,jtotal,ibin)
tot_nh4_out = tot_nh4_out + aer(inh4_a,jtotal,ibin)
tot_na_out = tot_na_out + aer(ina_a,jtotal,ibin)
tot_ca_out = tot_ca_out + aer(ica_a,jtotal,ibin)
enddo
diff_so4 = tot_so4_out - tot_so4_in
diff_no3 = tot_no3_out - tot_no3_in
diff_cl = tot_cl_out - tot_cl_in
diff_nh4 = tot_nh4_out - tot_nh4_in
diff_na = tot_na_out - tot_na_in
diff_ca = tot_ca_out - tot_ca_in
reldiff_so4 = 0.0
if(tot_so4_in .gt. 1.e-25 .or. tot_so4_out .gt. 1.e-25)then
reldiff_so4 = diff_so4/max(tot_so4_in, tot_so4_out)
endif
reldiff_no3 = 0.0
if(tot_no3_in .gt. 1.e-25 .or. tot_no3_out .gt. 1.e-25)then
reldiff_no3 = diff_no3/max(tot_no3_in, tot_no3_out)
endif
reldiff_cl = 0.0
if(tot_cl_in .gt. 1.e-25 .or. tot_cl_out .gt. 1.e-25)then
reldiff_cl = diff_cl/max(tot_cl_in, tot_cl_out)
endif
reldiff_nh4 = 0.0
if(tot_nh4_in .gt. 1.e-25 .or. tot_nh4_out .gt. 1.e-25)then
reldiff_nh4 = diff_nh4/max(tot_nh4_in, tot_nh4_out)
endif
reldiff_na = 0.0
if(tot_na_in .gt. 1.e-25 .or. tot_na_out .gt. 1.e-25)then
reldiff_na = diff_na/max(tot_na_in, tot_na_out)
endif
reldiff_ca = 0.0
if(tot_ca_in .gt. 1.e-25 .or. tot_ca_out .gt. 1.e-25)then
reldiff_ca = diff_ca/max(tot_ca_in, tot_ca_out)
endif
do 2900 ipasstmp = 1, 2
if (ipasstmp .eq. 1) then
luntmp = 6 ! write to standard output
else
luntmp = 67 ! write to fort.67
! goto 2900 ! skip this
endif
! write to monitor screen
write(luntmp,*)'+++++++++++++++++++++++++++++++++++++++++'
write(luntmp,*)'i j k n = ', iclm_aer, jclm_aer, kclm_aer, &
ncorecnt_aer
write(luntmp,*)'relative so4 mass bal = ', reldiff_so4
write(luntmp,*)'relative no3 mass bal = ', reldiff_no3
write(luntmp,*)'relative cl mass bal = ', reldiff_cl
write(luntmp,*)'relative nh4 mass bal = ', reldiff_nh4
write(luntmp,*)'relative na mass bal = ', reldiff_na
write(luntmp,*)'relative ca mass bal = ', reldiff_ca
write(luntmp,*)'inputs:'
write(luntmp,*)'t (k), p (atm), rh (%), cair (mol/cc) = '
write(luntmp,44) t_k, p_atm, rh_pc, cairclm(k)
write(luntmp,*)'gas h2so4, hno3, hcl, nh3 (mol/mol)'
write(luntmp,44)rsub(kh2so4,k,m), rsub(khno3,k,m), &
rsub(khcl,k,m), rsub(knh3,k,m)
iphase = ai_phase
ibin = 0
do itype = 1, ntype_aer
do isize = 1, nsize_aer(itype)
ibin = ibin + 1
write(luntmp,44) rsub(lptr_so4_aer(ibin,itype,iphase),k,m), &
rsub(lptr_no3_aer(ibin,itype,iphase),k,m), &
rsub(lptr_cl_aer(ibin,itype,iphase),k,m), &
rsub(lptr_nh4_aer(ibin,itype,iphase),k,m), &
rsub(lptr_oc_aer(ibin,itype,iphase),k,m), & ! ng/m^3(air)
rsub(lptr_co3_aer(ibin,itype,iphase),k,m), &
rsub(lptr_msa_aer(ibin,itype,iphase),k,m), &
rsub(lptr_bc_aer(ibin,itype,iphase),k,m), & ! ng/m^3(air)
rsub(lptr_na_aer(ibin,itype,iphase),k,m), &
rsub(lptr_ca_aer(ibin,itype,iphase),k,m), &
rsub(lptr_oin_aer(ibin,itype,iphase),k,m), &
rsub(hyswptr_aer(ibin,itype),k,m), &
rsub(waterptr_aer(ibin,itype),k,m), &
rsub(numptr_aer(ibin,itype,iphase),k,m)
enddo
enddo
write(luntmp,*)'+++++++++++++++++++++++++++++++++++++++++'
2900 continue
44 format(14e20.10)
!c stop
return
end subroutine print_input
!***********************************************************************
! checks if aerosol mass is too low to be of any significance
! and determine jaerosolstate
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine check_aerosol_mass(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer iaer
real(kind=8) drymass, aer_H
mass_dry_a(ibin) = 0.0
aer_H = (2.*aer(iso4_a,jtotal,ibin) + &
aer(ino3_a,jtotal,ibin) + &
aer(icl_a,jtotal,ibin) + &
aer(imsa_a,jtotal,ibin) + &
2.*aer(ico3_a,jtotal,ibin))- &
(2.*aer(ica_a,jtotal,ibin) + &
aer(ina_a,jtotal,ibin) + &
aer(inh4_a,jtotal,ibin))
do iaer = 1, naer
mass_dry_a(ibin) = mass_dry_a(ibin) + &
aer(iaer,jtotal,ibin)*mw_aer_mac(iaer) ! ng/m^3(air)
enddo
mass_dry_a(ibin) = mass_dry_a(ibin) + aer_H
drymass = mass_dry_a(ibin) ! ng/m^3(air)
mass_dry_a(ibin) = mass_dry_a(ibin)*1.e-15 ! g/cc(air)
if(drymass .lt. mass_cutoff)then ! bin mass is too small
jaerosolstate(ibin) = no_aerosol
jphase(ibin) = 0
if(drymass .eq. 0.)num_a(ibin) = 0.0
endif
return
end subroutine check_aerosol_mass
!***********************************************************************
! checks and conforms number according to the mass and bin size range
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine conform_aerosol_number(ibin)
use module_data_mosaic_asect
! implicit none
! include 'v33com'
! include 'v33com3'
! include 'v33com9a'
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer je, l, iaer, isize, itype
real(kind=8) num_at_dlo, num_at_dhi, numold
real(kind=8) aer_H
vol_dry_a(ibin) = 0.0 ! initialize to 0.0
if(jaerosolstate(ibin) .eq. no_aerosol) return
aer_H = (2.*aer(iso4_a,jtotal,ibin) + &
aer(ino3_a,jtotal,ibin) + &
aer(icl_a,jtotal,ibin) + &
aer(imsa_a,jtotal,ibin) + &
2.*aer(ico3_a,jtotal,ibin))- &
(2.*aer(ica_a,jtotal,ibin) + &
aer(ina_a,jtotal,ibin) + &
aer(inh4_a,jtotal,ibin))
do iaer = 1, naer
vol_dry_a(ibin) = vol_dry_a(ibin) + &
aer(iaer,jtotal,ibin)*mw_aer_mac(iaer)/dens_aer_mac(iaer) ! ng/m^3(air)
enddo
vol_dry_a(ibin) = vol_dry_a(ibin) + aer_H
vol_dry_a(ibin) = vol_dry_a(ibin)*1.e-15 ! cc(aer)/cc(air)
! conform number
call isize_itype_from_ibin( ibin, isize, itype )
num_at_dlo = vol_dry_a(ibin)/volumlo_sect(isize,itype)
num_at_dhi = vol_dry_a(ibin)/volumhi_sect(isize,itype)
numold = num_a(ibin)
num_a(ibin) = min(num_a(ibin), num_at_dlo) ! #/cc(air)
num_a(ibin) = max(num_a(ibin), num_at_dhi) ! #/cc(air)
! if (numold .ne. num_a(ibin)) then
! write(*,*) 'conform number - i, vol, mass, numold/new', ibin,
! & vol_dry_a(ibin), mass_dry_temp, numold, num_a(ibin)
! write(*,*) 'conform i,j,k', iclm_aer, jclm_aer, kclm_aer
! if (nsubareas .gt. 0) then
! write(*,'(a,1pe14.4)') (name(l), rsub(l,kclm_aer,1), l=1,ltot2)
! else
! write(*,'(a,1pe14.4)') (name(l), rclm(kclm_aer,l), l=1,ltot2)
! end if
! stop
! end if
return
end subroutine conform_aerosol_number
!***********************************************************************
! determines phase state of an aerosol bin. includes kelvin effect.
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine aerosol_phase_state(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer js, je, iaer, iv, iter_kelvin
real(kind=8) ah2o_a_new, rel_err
! real(kind=8) aerosol_water_up, bin_molality ! mosaic func
real(kind=8) kelvin_toler, term
real(kind=8) aer_H
ah2o = rh_pc*0.01
ah2o_a(ibin) = ah2o
kelvin(ibin) = 1.0
do iv = 1, ngas_volatile+ngas_het
kel(iv,ibin) = 1.0
enddo
if(rh_pc .le. 99)then
kelvin_toler = 1.e-2
else
kelvin_toler = 1.e-6
endif
! calculate dry mass and dry volume of a bin
mass_dry_a(ibin) = 0.0 ! initialize to 0.0
vol_dry_a(ibin) = 0.0 ! initialize to 0.0
aer_H = (2.*aer(iso4_a,jtotal,ibin) + &
aer(ino3_a,jtotal,ibin) + &
aer(icl_a,jtotal,ibin) + &
aer(imsa_a,jtotal,ibin) + &
2.*aer(ico3_a,jtotal,ibin))- &
(2.*aer(ica_a,jtotal,ibin) + &
aer(ina_a,jtotal,ibin) + &
aer(inh4_a,jtotal,ibin))
do iaer = 1, naer
mass_dry_a(ibin) = mass_dry_a(ibin) + &
aer(iaer,jtotal,ibin)*mw_aer_mac(iaer) ! ng/m^3(air)
vol_dry_a(ibin) = vol_dry_a(ibin) + &
aer(iaer,jtotal,ibin)*mw_aer_mac(iaer)/dens_aer_mac(iaer) ! ncc/m^3(air)
enddo
mass_dry_a(ibin) = mass_dry_a(ibin) + aer_H
vol_dry_a(ibin) = vol_dry_a(ibin) + aer_H
mass_dry_a(ibin) = mass_dry_a(ibin)*1.e-15 ! g/cc(air)
vol_dry_a(ibin) = vol_dry_a(ibin)*1.e-15 ! cc(aer)/cc(air) or m^3/m^3(air)
! wet mass and wet volume
mass_wet_a(ibin) = mass_dry_a(ibin) + water_a(ibin)*1.e-3 ! g/cc(air)
vol_wet_a(ibin) = vol_dry_a(ibin) + water_a(ibin)*1.e-3 ! cc(aer)/cc(air) or m^3/m^3(air)
water_a_up(ibin) = aerosol_water_up(ibin) ! for hysteresis curve determination
iter_kelvin = 0
10 iter_kelvin = iter_kelvin + 1
do je = 1, nelectrolyte
molality0(je) = bin_molality(je,ibin) ! compute ah2o dependent binary molalities
enddo
call mesa(ibin)
if(jaerosolstate(ibin) .eq. all_solid)then
return
endif
if (istat_mosaic_fe1 .lt. 0) return
! new wet mass and wet volume
mass_wet_a(ibin) = mass_dry_a(ibin) + water_a(ibin)*1.e-3 ! g/cc(air)
vol_wet_a(ibin) = vol_dry_a(ibin) + water_a(ibin)*1.e-3 ! cc(aer)/cc(air) or m^3/m^3(air)
call calculate_kelvin(ibin)
ah2o_a_new = rh_pc*0.01/kelvin(ibin)
rel_err = abs( (ah2o_a_new - ah2o_a(ibin))/ah2o_a(ibin))
if(rel_err .gt. kelvin_toler .and. iter_kelvin.le.10)then
ah2o_a(ibin) = ah2o_a_new
goto 10
endif
if(jaerosolstate(ibin) .eq. all_liquid)jhyst_leg(ibin) = jhyst_up
! now compute kelvin effect terms for condensing species (nh3, hno3, and hcl)
do iv = 1, ngas_volatile+ngas_het
term = 4.*sigma_soln(ibin)*partial_molar_vol(iv)/ &
(8.3144e7*T_K*DpmV(ibin))
kel(iv,ibin) = 1. + term*(1. + 0.5*term*(1. + term/3.))
enddo
return
end subroutine aerosol_phase_state
!***********************************************************************
! computes kelvin effect term (kelvin => 1.0)
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine calculate_kelvin(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
real(kind=8) term
volume_a(ibin) = vol_wet_a(ibin) ! [cc/cc(air)]
dpmv(ibin)=(6.*volume_a(ibin)/(num_a(ibin)*3.1415926))**(1./3.) ! [cm]
sigma_soln(ibin) = sigma_water + 49.0*(1. - ah2o_a(ibin)) ! [dyn/cm]
term = 72.*sigma_soln(ibin)/(8.3144e7*t_k*dpmv(ibin)) ! [-]
! kelvin(ibin) = exp(term)
kelvin(ibin) = 1. + term*(1. + 0.5*term*(1. + term/3.))
return
end subroutine calculate_kelvin
!***********************************************************************
! mesa: multicomponent equilibrium solver for aerosols.
! computes equilibrum solid and liquid phases by integrating
! pseudo-transient dissolution and precipitation reactions
!
! author: rahul a. zaveri
! update: jan 2005
! update: 21 may 2014 - revised code to force metastable or stable state (upper curve) for RH > 35%
!
!-----------------------------------------------------------------------
subroutine mesa(ibin) ! touch
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer idissolved, j_index, jdum, js, je ! raz update 11/13/2008
real(kind=8) crh, solids, sum_soluble, sum_insoluble, xt
! real(kind=8) aerosol_water ! mosaic func
! real(kind=8) drh_mutual ! mosaic func
real(kind=8) h_ion, sum_dum ! raz update 11/13/2008
! calculate percent composition ! raz update 11/13/2008
sum_dum = 0.0
do je = 1, nelectrolyte
sum_dum = sum_dum + electrolyte(je,jtotal,ibin)
enddo
if(sum_dum .eq. 0.)sum_dum = 1.0
do je = 1, nelectrolyte
epercent(je,jtotal,ibin) = 100.*electrolyte(je,jtotal,ibin)/sum_dum
enddo
call calculate_xt(ibin,jtotal,xt)
crh = 0.35 ! raz-30apr07
! step 1: check if ah2o is below crh (crystallization or efflorescence point)
if( (ah2o_a(ibin) .lt. crh) .and. &
(xt.gt.1.0 .or. xt.lt.0.) .and. &
(epercent(jcano3,jtotal,ibin) .le. ptol_mol_astem) .and. &
(epercent(jcacl2,jtotal,ibin) .le. ptol_mol_astem) )then ! raz-30apr07
jaerosolstate(ibin) = all_solid
jphase(ibin) = jsolid
jhyst_leg(ibin) = jhyst_lo
call adjust_solid_aerosol(ibin)
return
endif
! step 2: check for supersaturation/metastable state
! jdum = 1 ! 1 = forced metastable. 0 = maybe stable ! RAZ 5/21/2014
! if(water_a_hyst(ibin) .gt. 0.5*water_a_up(ibin) .or. jdum .eq. 1)then
! 2017.12.03 water hysteresis changes
if (mhyst_method .eq. mhyst_uporlo_waterhyst) then
jdum = 0
if (water_a_hyst(ibin) .gt. 0.5*water_a_up(ibin)) jdum = 1
else if (mhyst_method .eq. mhyst_force_up) then
jdum = 1
else ! if (mhyst_method .eq. mhyst_force_lo) then
jdum = 0
end if
if (jdum .eq. 1) then
call do_full_deliquescence(ibin)
! sum_soluble = 0.0
! do js = 1, nsoluble
! sum_soluble = sum_soluble + electrolyte(js,jtotal,ibin)
! enddo
! solids = electrolyte(jcaso4,jtotal,ibin) + &
! electrolyte(jcaco3,jtotal,ibin) + &
! aer(ioin_a ,jtotal,ibin)
!
!
! if(sum_soluble .lt. 1.e-15 .and. solids .gt. 0.0)then
!
! jaerosolstate(ibin) = all_solid ! no soluble material present
! jphase(ibin) = jsolid
! call adjust_solid_aerosol(ibin)
!
! new wet mass and wet volume
! mass_wet_a(ibin) = mass_dry_a(ibin) + water_a(ibin)*1.e-3 ! g/cc(air)
! vol_wet_a(ibin) = vol_dry_a(ibin) + water_a(ibin)*1.e-3 ! cc(aer)/cc(air) or m^3/m^3(air)
! growth_factor(ibin) = mass_wet_a(ibin)/mass_dry_a(ibin) ! mass growth factor
!
! return
!
! elseif(sum_soluble .gt. 0.0 .and. solids .eq. 0.0)then
jaerosolstate(ibin) = all_liquid
jhyst_leg(ibin) = jhyst_up
jphase(ibin) = jliquid
water_a(ibin) = aerosol_water(jtotal,ibin)
if(water_a(ibin) .lt. 0.0)then ! one last attempt to catch bad input
jaerosolstate(ibin) = all_solid ! no soluble material present
jphase(ibin) = jsolid
jhyst_leg(ibin) = jhyst_lo
call adjust_solid_aerosol(ibin)
else
call adjust_liquid_aerosol(ibin)
call compute_activities(ibin)
endif
! new wet mass and wet volume
mass_wet_a(ibin) = mass_dry_a(ibin) + water_a(ibin)*1.e-3 ! g/cc(air)
vol_wet_a(ibin) = vol_dry_a(ibin) + water_a(ibin)*1.e-3 ! cc(aer)/cc(air) or m^3/m^3(air)
growth_factor(ibin) = mass_wet_a(ibin)/mass_dry_a(ibin) ! mass growth factor
return
! endif
endif
! step 3: diagnose mdrh
if(xt .lt. 1. .and. xt .gt. 0. )goto 10 ! excess sulfate domain - no mdrh exists
jdum = 0
do js = 1, nsalt
jsalt_present(js) = 0 ! default value - salt absent
if(epercent(js,jtotal,ibin) .gt. ptol_mol_astem)then
jsalt_present(js) = 1 ! salt present
jdum = jdum + jsalt_index(js)
endif
enddo
if(jdum .eq. 0)then
jaerosolstate(ibin) = all_solid ! no significant soluble material present
jphase(ibin) = jsolid
call adjust_solid_aerosol(ibin)
return
endif
if(xt .ge. 2.0 .or. xt .lt. 0.0)then
j_index = jsulf_poor(jdum)
else
j_index = jsulf_rich(jdum)
endif
mdrh(ibin) = mdrh_t(j_index)
if(ah2o_a(ibin)*100. .lt. mdrh(ibin)) then
jaerosolstate(ibin) = all_solid
jphase(ibin) = jsolid
jhyst_leg(ibin) = jhyst_lo
call adjust_solid_aerosol(ibin)
return
endif
! step 4: none of the above means it must be sub-saturated or mixed-phase
10 call do_full_deliquescence(ibin)
call mesa_ptc(ibin) ! determines jaerosolstate(ibin)
if (istat_mosaic_fe1 .lt. 0) return
return
end subroutine mesa
!***********************************************************************
! this subroutine completely deliquesces an aerosol and partitions
! all the soluble electrolytes into the liquid phase and insoluble
! ones into the solid phase. it also calculates the corresponding
! aer(js,jliquid,ibin) and aer(js,jsolid,ibin) generic species
! concentrations
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine do_full_deliquescence(ibin) ! touch
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer js
! partition all electrolytes into liquid phase
do js = 1, nelectrolyte
electrolyte(js,jsolid,ibin) = 0.0
electrolyte(js,jliquid,ibin) = electrolyte(js,jtotal,ibin)
enddo
!
! except these electrolytes, which always remain in the solid phase
electrolyte(jcaco3,jsolid,ibin) = electrolyte(jcaco3,jtotal,ibin)
electrolyte(jcaso4,jsolid,ibin) = electrolyte(jcaso4,jtotal,ibin)
electrolyte(jcaco3,jliquid,ibin)= 0.0
electrolyte(jcaso4,jliquid,ibin)= 0.0
! partition all the generic aer species into solid and liquid phases
! solid phase
aer(iso4_a,jsolid,ibin) = electrolyte(jcaso4,jsolid,ibin)
aer(ino3_a,jsolid,ibin) = 0.0
aer(icl_a, jsolid,ibin) = 0.0
aer(inh4_a,jsolid,ibin) = 0.0
aer(ioc_a, jsolid,ibin) = aer(ioc_a,jtotal,ibin)
aer(imsa_a,jsolid,ibin) = 0.0
aer(ico3_a,jsolid,ibin) = aer(ico3_a,jtotal,ibin)
aer(ina_a, jsolid,ibin) = 0.0
aer(ica_a, jsolid,ibin) = electrolyte(jcaco3,jsolid,ibin) + &
electrolyte(jcaso4,jsolid,ibin)
aer(ibc_a, jsolid,ibin) = aer(ibc_a,jtotal,ibin)
aer(ioin_a,jsolid,ibin) = aer(ioin_a,jtotal,ibin)
aer(ipcg1_b_c_a,jsolid,ibin)= aer(ipcg1_b_c_a,jtotal,ibin)
aer(ipcg2_b_c_a,jsolid,ibin)= aer(ipcg2_b_c_a,jtotal,ibin)
aer(ipcg3_b_c_a,jsolid,ibin)= aer(ipcg3_b_c_a,jtotal,ibin)
aer(ipcg4_b_c_a,jsolid,ibin)= aer(ipcg4_b_c_a,jtotal,ibin)
aer(ipcg5_b_c_a,jsolid,ibin)= aer(ipcg5_b_c_a,jtotal,ibin)
aer(ipcg6_b_c_a,jsolid,ibin)= aer(ipcg6_b_c_a,jtotal,ibin)
aer(ipcg7_b_c_a,jsolid,ibin)= aer(ipcg7_b_c_a,jtotal,ibin)
aer(ipcg8_b_c_a,jsolid,ibin)= aer(ipcg8_b_c_a,jtotal,ibin)
aer(ipcg9_b_c_a,jsolid,ibin)= aer(ipcg9_b_c_a,jtotal,ibin)
aer(ipcg1_b_o_a,jsolid,ibin)= aer(ipcg1_b_o_a,jtotal,ibin)
aer(ipcg2_b_o_a,jsolid,ibin)= aer(ipcg2_b_o_a,jtotal,ibin)
aer(ipcg3_b_o_a,jsolid,ibin)= aer(ipcg3_b_o_a,jtotal,ibin)
aer(ipcg4_b_o_a,jsolid,ibin)= aer(ipcg4_b_o_a,jtotal,ibin)
aer(ipcg5_b_o_a,jsolid,ibin)= aer(ipcg5_b_o_a,jtotal,ibin)
aer(ipcg6_b_o_a,jsolid,ibin)= aer(ipcg6_b_o_a,jtotal,ibin)
aer(ipcg7_b_o_a,jsolid,ibin)= aer(ipcg7_b_o_a,jtotal,ibin)
aer(ipcg8_b_o_a,jsolid,ibin)= aer(ipcg8_b_o_a,jtotal,ibin)
aer(ipcg9_b_o_a,jsolid,ibin)= aer(ipcg9_b_o_a,jtotal,ibin)
aer(iopcg1_b_c_a,jsolid,ibin)= aer(iopcg1_b_c_a,jtotal,ibin)
aer(iopcg2_b_c_a,jsolid,ibin)= aer(iopcg2_b_c_a,jtotal,ibin)
aer(iopcg3_b_c_a,jsolid,ibin)= aer(iopcg3_b_c_a,jtotal,ibin)
aer(iopcg4_b_c_a,jsolid,ibin)= aer(iopcg4_b_c_a,jtotal,ibin)
aer(iopcg5_b_c_a,jsolid,ibin)= aer(iopcg5_b_c_a,jtotal,ibin)
aer(iopcg6_b_c_a,jsolid,ibin)= aer(iopcg6_b_c_a,jtotal,ibin)
aer(iopcg7_b_c_a,jsolid,ibin)= aer(iopcg7_b_c_a,jtotal,ibin)
aer(iopcg8_b_c_a,jsolid,ibin)= aer(iopcg8_b_c_a,jtotal,ibin)
aer(iopcg1_b_o_a,jsolid,ibin)= aer(iopcg1_b_o_a,jtotal,ibin)
aer(iopcg2_b_o_a,jsolid,ibin)= aer(iopcg2_b_o_a,jtotal,ibin)
aer(iopcg3_b_o_a,jsolid,ibin)= aer(iopcg3_b_o_a,jtotal,ibin)
aer(iopcg4_b_o_a,jsolid,ibin)= aer(iopcg4_b_o_a,jtotal,ibin)
aer(iopcg5_b_o_a,jsolid,ibin)= aer(iopcg5_b_o_a,jtotal,ibin)
aer(iopcg6_b_o_a,jsolid,ibin)= aer(iopcg6_b_o_a,jtotal,ibin)
aer(iopcg7_b_o_a,jsolid,ibin)= aer(iopcg7_b_o_a,jtotal,ibin)
aer(iopcg8_b_o_a,jsolid,ibin)= aer(iopcg8_b_o_a,jtotal,ibin)
aer(ipcg1_f_c_a,jsolid,ibin)= aer(ipcg1_f_c_a,jtotal,ibin)
aer(ipcg2_f_c_a,jsolid,ibin)= aer(ipcg2_f_c_a,jtotal,ibin)
aer(ipcg3_f_c_a,jsolid,ibin)= aer(ipcg3_f_c_a,jtotal,ibin)
aer(ipcg4_f_c_a,jsolid,ibin)= aer(ipcg4_f_c_a,jtotal,ibin)
aer(ipcg5_f_c_a,jsolid,ibin)= aer(ipcg5_f_c_a,jtotal,ibin)
aer(ipcg6_f_c_a,jsolid,ibin)= aer(ipcg6_f_c_a,jtotal,ibin)
aer(ipcg7_f_c_a,jsolid,ibin)= aer(ipcg7_f_c_a,jtotal,ibin)
aer(ipcg8_f_c_a,jsolid,ibin)= aer(ipcg8_f_c_a,jtotal,ibin)
aer(ipcg9_f_c_a,jsolid,ibin)= aer(ipcg9_f_c_a,jtotal,ibin)
aer(ipcg1_f_o_a,jsolid,ibin)= aer(ipcg1_f_o_a,jtotal,ibin)
aer(ipcg2_f_o_a,jsolid,ibin)= aer(ipcg2_f_o_a,jtotal,ibin)
aer(ipcg3_f_o_a,jsolid,ibin)= aer(ipcg3_f_o_a,jtotal,ibin)
aer(ipcg4_f_o_a,jsolid,ibin)= aer(ipcg4_f_o_a,jtotal,ibin)
aer(ipcg5_f_o_a,jsolid,ibin)= aer(ipcg5_f_o_a,jtotal,ibin)
aer(ipcg6_f_o_a,jsolid,ibin)= aer(ipcg6_f_o_a,jtotal,ibin)
aer(ipcg7_f_o_a,jsolid,ibin)= aer(ipcg7_f_o_a,jtotal,ibin)
aer(ipcg8_f_o_a,jsolid,ibin)= aer(ipcg8_f_o_a,jtotal,ibin)
aer(ipcg9_f_o_a,jsolid,ibin)= aer(ipcg9_f_o_a,jtotal,ibin)
aer(iopcg1_f_c_a,jsolid,ibin)= aer(iopcg1_f_c_a,jtotal,ibin)
aer(iopcg2_f_c_a,jsolid,ibin)= aer(iopcg2_f_c_a,jtotal,ibin)
aer(iopcg3_f_c_a,jsolid,ibin)= aer(iopcg3_f_c_a,jtotal,ibin)
aer(iopcg4_f_c_a,jsolid,ibin)= aer(iopcg4_f_c_a,jtotal,ibin)
aer(iopcg5_f_c_a,jsolid,ibin)= aer(iopcg5_f_c_a,jtotal,ibin)
aer(iopcg6_f_c_a,jsolid,ibin)= aer(iopcg6_f_c_a,jtotal,ibin)
aer(iopcg7_f_c_a,jsolid,ibin)= aer(iopcg7_f_c_a,jtotal,ibin)
aer(iopcg8_f_c_a,jsolid,ibin)= aer(iopcg8_f_c_a,jtotal,ibin)
aer(iopcg1_f_o_a,jsolid,ibin)= aer(iopcg1_f_o_a,jtotal,ibin)
aer(iopcg2_f_o_a,jsolid,ibin)= aer(iopcg2_f_o_a,jtotal,ibin)
aer(iopcg3_f_o_a,jsolid,ibin)= aer(iopcg3_f_o_a,jtotal,ibin)
aer(iopcg4_f_o_a,jsolid,ibin)= aer(iopcg4_f_o_a,jtotal,ibin)
aer(iopcg5_f_o_a,jsolid,ibin)= aer(iopcg5_f_o_a,jtotal,ibin)
aer(iopcg6_f_o_a,jsolid,ibin)= aer(iopcg6_f_o_a,jtotal,ibin)
aer(iopcg7_f_o_a,jsolid,ibin)= aer(iopcg7_f_o_a,jtotal,ibin)
aer(iopcg8_f_o_a,jsolid,ibin)= aer(iopcg8_f_o_a,jtotal,ibin)
aer(ismpa_a,jsolid,ibin)= aer(ismpa_a,jtotal,ibin)
aer(ismpbb_a,jsolid,ibin)= aer(ismpbb_a,jtotal,ibin)
aer(iglysoa_r1_a,jsolid,ibin)= aer(iglysoa_r1_a,jtotal,ibin)
aer(iglysoa_r2_a,jsolid,ibin)= aer(iglysoa_r2_a,jtotal,ibin)
aer(iglysoa_sfc_a,jsolid,ibin)= aer(iglysoa_sfc_a,jtotal,ibin)
aer(iglysoa_nh4_a,jsolid,ibin)= aer(iglysoa_nh4_a,jtotal,ibin)
aer(iglysoa_oh_a,jsolid,ibin)= aer(iglysoa_oh_a,jtotal,ibin)
aer(iant1_c_a,jsolid,ibin)= aer(iant1_c_a,jtotal,ibin)
aer(iant2_c_a,jsolid,ibin)= aer(iant2_c_a,jtotal,ibin)
aer(iant3_c_a,jsolid,ibin)= aer(iant3_c_a,jtotal,ibin)
aer(iant4_c_a,jsolid,ibin)= aer(iant4_c_a,jtotal,ibin)
aer(iant1_o_a,jsolid,ibin)= aer(iant1_o_a,jtotal,ibin)
aer(iant2_o_a,jsolid,ibin)= aer(iant2_o_a,jtotal,ibin)
aer(iant3_o_a,jsolid,ibin)= aer(iant3_o_a,jtotal,ibin)
aer(iant4_o_a,jsolid,ibin)= aer(iant4_o_a,jtotal,ibin)
aer(ibiog1_c_a,jsolid,ibin)= aer(ibiog1_c_a,jtotal,ibin)
aer(ibiog2_c_a,jsolid,ibin)= aer(ibiog2_c_a,jtotal,ibin)
aer(ibiog3_c_a,jsolid,ibin)= aer(ibiog3_c_a,jtotal,ibin)
aer(ibiog4_c_a,jsolid,ibin)= aer(ibiog4_c_a,jtotal,ibin)
aer(ibiog1_o_a,jsolid,ibin)= aer(ibiog1_o_a,jtotal,ibin)
aer(ibiog2_o_a,jsolid,ibin)= aer(ibiog2_o_a,jtotal,ibin)
aer(ibiog3_o_a,jsolid,ibin)= aer(ibiog3_o_a,jtotal,ibin)
aer(ibiog4_o_a,jsolid,ibin)= aer(ibiog4_o_a,jtotal,ibin)
aer(iasoaX_a,jsolid,ibin)= aer(iasoaX_a,jtotal,ibin)
aer(iasoa1_a,jsolid,ibin)= aer(iasoa1_a,jtotal,ibin)
aer(iasoa2_a,jsolid,ibin)= aer(iasoa2_a,jtotal,ibin)
aer(iasoa3_a,jsolid,ibin)= aer(iasoa3_a,jtotal,ibin)
aer(iasoa4_a,jsolid,ibin)= aer(iasoa4_a,jtotal,ibin)
aer(ibsoaX_a,jsolid,ibin)= aer(ibsoaX_a,jtotal,ibin)
aer(ibsoa1_a,jsolid,ibin)= aer(ibsoa1_a,jtotal,ibin)
aer(ibsoa2_a,jsolid,ibin)= aer(ibsoa2_a,jtotal,ibin)
aer(ibsoa3_a,jsolid,ibin)= aer(ibsoa3_a,jtotal,ibin)
aer(ibsoa4_a,jsolid,ibin)= aer(ibsoa4_a,jtotal,ibin)
! liquid-phase
aer(iso4_a,jliquid,ibin) = aer(iso4_a,jtotal,ibin) - &
electrolyte(jcaso4,jsolid,ibin)
aer(ino3_a,jliquid,ibin) = aer(ino3_a,jtotal,ibin)
aer(icl_a, jliquid,ibin) = aer(icl_a,jtotal,ibin)
aer(inh4_a,jliquid,ibin) = aer(inh4_a,jtotal,ibin)
aer(ioc_a, jliquid,ibin) = 0.0
aer(imsa_a,jliquid,ibin) = aer(imsa_a,jtotal,ibin)
aer(ico3_a,jliquid,ibin) = 0.0
aer(ina_a, jliquid,ibin) = aer(ina_a,jtotal,ibin)
aer(ica_a, jliquid,ibin) = electrolyte(jcano3,jtotal,ibin) + &
electrolyte(jcacl2,jtotal,ibin)
aer(ibc_a, jliquid,ibin) = 0.0
aer(ioin_a,jliquid,ibin) = 0.0
aer(ipcg1_b_c_a,jliquid,ibin)= 0.0
aer(ipcg2_b_c_a,jliquid,ibin)= 0.0
aer(ipcg3_b_c_a,jliquid,ibin)= 0.0
aer(ipcg4_b_c_a,jliquid,ibin)= 0.0
aer(ipcg5_b_c_a,jliquid,ibin)= 0.0
aer(ipcg6_b_c_a,jliquid,ibin)= 0.0
aer(ipcg7_b_c_a,jliquid,ibin)= 0.0
aer(ipcg8_b_c_a,jliquid,ibin)= 0.0
aer(ipcg9_b_c_a,jliquid,ibin)= 0.0
aer(ipcg1_b_o_a,jliquid,ibin)= 0.0
aer(ipcg2_b_o_a,jliquid,ibin)= 0.0
aer(ipcg3_b_o_a,jliquid,ibin)= 0.0
aer(ipcg4_b_o_a,jliquid,ibin)= 0.0
aer(ipcg5_b_o_a,jliquid,ibin)= 0.0
aer(ipcg6_b_o_a,jliquid,ibin)= 0.0
aer(ipcg7_b_o_a,jliquid,ibin)= 0.0
aer(ipcg8_b_o_a,jliquid,ibin)= 0.0
aer(ipcg9_b_o_a,jliquid,ibin)= 0.0
aer(iopcg1_b_c_a,jliquid,ibin)= 0.0
aer(iopcg2_b_c_a,jliquid,ibin)= 0.0
aer(iopcg3_b_c_a,jliquid,ibin)= 0.0
aer(iopcg4_b_c_a,jliquid,ibin)= 0.0
aer(iopcg5_b_c_a,jliquid,ibin)= 0.0
aer(iopcg6_b_c_a,jliquid,ibin)= 0.0
aer(iopcg7_b_c_a,jliquid,ibin)= 0.0
aer(iopcg8_b_c_a,jliquid,ibin)= 0.0
aer(iopcg1_b_o_a,jliquid,ibin)= 0.0
aer(iopcg2_b_o_a,jliquid,ibin)= 0.0
aer(iopcg3_b_o_a,jliquid,ibin)= 0.0
aer(iopcg4_b_o_a,jliquid,ibin)= 0.0
aer(iopcg5_b_o_a,jliquid,ibin)= 0.0
aer(iopcg6_b_o_a,jliquid,ibin)= 0.0
aer(iopcg7_b_o_a,jliquid,ibin)= 0.0
aer(iopcg8_b_o_a,jliquid,ibin)= 0.0
aer(ipcg1_f_c_a,jliquid,ibin)= 0.0
aer(ipcg2_f_c_a,jliquid,ibin)= 0.0
aer(ipcg3_f_c_a,jliquid,ibin)= 0.0
aer(ipcg4_f_c_a,jliquid,ibin)= 0.0
aer(ipcg5_f_c_a,jliquid,ibin)= 0.0
aer(ipcg6_f_c_a,jliquid,ibin)= 0.0
aer(ipcg7_f_c_a,jliquid,ibin)= 0.0
aer(ipcg8_f_c_a,jliquid,ibin)= 0.0
aer(ipcg9_f_c_a,jliquid,ibin)= 0.0
aer(ipcg1_f_o_a,jliquid,ibin)= 0.0
aer(ipcg2_f_o_a,jliquid,ibin)= 0.0
aer(ipcg3_f_o_a,jliquid,ibin)= 0.0
aer(ipcg4_f_o_a,jliquid,ibin)= 0.0
aer(ipcg5_f_o_a,jliquid,ibin)= 0.0
aer(ipcg6_f_o_a,jliquid,ibin)= 0.0
aer(ipcg7_f_o_a,jliquid,ibin)= 0.0
aer(ipcg8_f_o_a,jliquid,ibin)= 0.0
aer(ipcg9_f_o_a,jliquid,ibin)= 0.0
aer(iopcg1_f_c_a,jliquid,ibin)= 0.0
aer(iopcg2_f_c_a,jliquid,ibin)= 0.0
aer(iopcg3_f_c_a,jliquid,ibin)= 0.0
aer(iopcg4_f_c_a,jliquid,ibin)= 0.0
aer(iopcg5_f_c_a,jliquid,ibin)= 0.0
aer(iopcg6_f_c_a,jliquid,ibin)= 0.0
aer(iopcg7_f_c_a,jliquid,ibin)= 0.0
aer(iopcg8_f_c_a,jliquid,ibin)= 0.0
aer(iopcg1_f_o_a,jliquid,ibin)= 0.0
aer(iopcg2_f_o_a,jliquid,ibin)= 0.0
aer(iopcg3_f_o_a,jliquid,ibin)= 0.0
aer(iopcg4_f_o_a,jliquid,ibin)= 0.0
aer(iopcg5_f_o_a,jliquid,ibin)= 0.0
aer(iopcg6_f_o_a,jliquid,ibin)= 0.0
aer(iopcg7_f_o_a,jliquid,ibin)= 0.0
aer(iopcg8_f_o_a,jliquid,ibin)= 0.0
aer(ismpa_a,jliquid,ibin)= 0.0
aer(ismpbb_a,jliquid,ibin)= 0.0
aer(iglysoa_r1_a,jliquid,ibin)= 0.0
aer(iglysoa_r2_a,jliquid,ibin)= 0.0
aer(iglysoa_sfc_a,jliquid,ibin)= 0.0
aer(iglysoa_nh4_a,jliquid,ibin)= 0.0
aer(iglysoa_oh_a,jliquid,ibin)= 0.0
aer(iant1_c_a,jliquid,ibin)= 0.0
aer(iant2_c_a,jliquid,ibin)= 0.0
aer(iant3_c_a,jliquid,ibin)= 0.0
aer(iant4_c_a,jliquid,ibin)= 0.0
aer(iant1_o_a,jliquid,ibin)= 0.0
aer(iant2_o_a,jliquid,ibin)= 0.0
aer(iant3_o_a,jliquid,ibin)= 0.0
aer(iant4_o_a,jliquid,ibin)= 0.0
aer(ibiog1_c_a,jliquid,ibin)= 0.0
aer(ibiog2_c_a,jliquid,ibin)= 0.0
aer(ibiog3_c_a,jliquid,ibin)= 0.0
aer(ibiog4_c_a,jliquid,ibin)= 0.0
aer(ibiog1_o_a,jliquid,ibin)= 0.0
aer(ibiog2_o_a,jliquid,ibin)= 0.0
aer(ibiog3_o_a,jliquid,ibin)= 0.0
aer(ibiog4_o_a,jliquid,ibin)= 0.0
aer(iasoaX_a,jliquid,ibin)= 0.0
aer(iasoa1_a,jliquid,ibin)= 0.0
aer(iasoa2_a,jliquid,ibin)= 0.0
aer(iasoa3_a,jliquid,ibin)= 0.0
aer(iasoa4_a,jliquid,ibin)= 0.0
aer(ibsoaX_a,jliquid,ibin)= 0.0
aer(ibsoa1_a,jliquid,ibin)= 0.0
aer(ibsoa2_a,jliquid,ibin)= 0.0
aer(ibsoa3_a,jliquid,ibin)= 0.0
aer(ibsoa4_a,jliquid,ibin)= 0.0
return
end subroutine do_full_deliquescence
!***********************************************************************
! mesa: multicomponent equilibrium solver for aerosol-phase
! computes equilibrum solid and liquid phases by integrating
! pseudo-transient dissolution and precipitation reactions
!
! author: rahul a. zaveri
! update: jan 2005
! reference: zaveri r.a., r.c. easter, and l.k. peters, jgr, 2005b
!-----------------------------------------------------------------------
subroutine mesa_ptc(ibin) ! touch
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer iaer, iconverge, iconverge_flux, iconverge_mass, &
idissolved, itdum, js, je, jp ! raz update 11/13/2008
real(kind=8) tau_p(nsalt), tau_d(nsalt)
real(kind=8) hsalt_min
real(kind=8) phi_prod, alpha_fac, sum_dum ! raz update 11/13/2008
real(kind=8) aer_H
! function
! real(kind=8) aerosol_water
! initialize
itdum = 0 ! initialize time
hsalt_max = 1.e25
do js = 1, nsalt
hsalt(js) = 0.0
sat_ratio(js) = 0.0
phi_salt(js) = 0.0
flux_sl(js) = 0.0
enddo
! calculate percent composition ! raz update 11/13/2008
sum_dum = 0.0
do je = 1, nelectrolyte
sum_dum = sum_dum + electrolyte(je,jtotal,ibin)
enddo
if(sum_dum .eq. 0.)sum_dum = 1.0
do je = 1, nelectrolyte
epercent(je,jtotal,ibin) = 100.*electrolyte(je,jtotal,ibin)/sum_dum
enddo
do js = 1, nsalt
jsalt_present(js) = 0 ! default value - salt absent
if(epercent(js,jtotal,ibin) .gt. 1.0)then
jsalt_present(js) = 1 ! salt present
endif
enddo
mass_dry_a(ibin) = 0.0
aer_H = (2.*aer(iso4_a,jtotal,ibin) + &
aer(ino3_a,jtotal,ibin) + &
aer(icl_a,jtotal,ibin) + &
aer(imsa_a,jtotal,ibin) + &
2.*aer(ico3_a,jtotal,ibin))- &
(2.*aer(ica_a,jtotal,ibin) + &
aer(ina_a,jtotal,ibin) + &
aer(inh4_a,jtotal,ibin))
aer_H = max(aer_H, 0.0d0) ! raz update 11/13/2008
do iaer = 1, naer
mass_dry_a(ibin) = mass_dry_a(ibin) + &
aer(iaer,jtotal,ibin)*mw_aer_mac(iaer) ! [ng/m^3(air)]
vol_dry_a(ibin) = vol_dry_a(ibin) + &
aer(iaer,jtotal,ibin)*mw_aer_mac(iaer)/dens_aer_mac(iaer) ! ncc/m^3(air)
enddo
mass_dry_a(ibin) = mass_dry_a(ibin) + aer_H
vol_dry_a(ibin) = vol_dry_a(ibin) + aer_H
mass_dry_a(ibin) = mass_dry_a(ibin)*1.e-15 ! [g/cc(air)]
vol_dry_a(ibin) = vol_dry_a(ibin)*1.e-15 ! [cc(aer)/cc(air)]
mass_dry_salt(ibin) = 0.0 ! soluble salts only
do je = 1, nsalt
mass_dry_salt(ibin) = mass_dry_salt(ibin) + &
electrolyte(je,jtotal,ibin)*mw_electrolyte(je)*1.e-15 ! g/cc(air)
enddo
nmesa_call = nmesa_call + 1
!----begin pseudo time continuation loop-------------------------------
do 500 itdum = 1, nmax_mesa
! compute new salt fluxes
call mesa_flux_salt(ibin)
if (istat_mosaic_fe1 .lt. 0) return
! check convergence
call mesa_convergence_criterion(ibin, &
iconverge_mass, &
iconverge_flux, &
idissolved)
if(iconverge_mass .eq. myes)then
iter_mesa(ibin) = iter_mesa(ibin) + itdum
niter_mesa = niter_mesa + itdum
niter_mesa_max = max(niter_mesa_max, itdum)
jaerosolstate(ibin) = all_solid
call adjust_solid_aerosol(ibin)
jhyst_leg(ibin) = jhyst_lo
growth_factor(ibin) = 1.0
return
elseif(iconverge_flux .eq. myes)then
iter_mesa(ibin) = iter_mesa(ibin)+ itdum
niter_mesa = niter_mesa + itdum
niter_mesa_max = max(niter_mesa_max, itdum)
mass_wet_a(ibin) = mass_dry_a(ibin) + water_a(ibin)*1.e-3 ! g/cc(air)
vol_wet_a(ibin) = vol_dry_a(ibin) + water_a(ibin)*1.e-3 ! cc(aer)/cc(air) or m^3/m^3(air)
growth_factor(ibin) = mass_wet_a(ibin)/mass_dry_a(ibin) ! mass growth factor
if(idissolved .eq. myes)then
jaerosolstate(ibin) = all_liquid
! jhyst_leg(ibin) = jhyst_up ! do this later (to avoid tripping kelvin iterations)
else
jaerosolstate(ibin) = mixed
jhyst_leg(ibin) = jhyst_lo
endif
! calculate epercent(jsolid) composition in mixed-phase aerosol
sum_dum = 0.0
jp = jsolid
do je = 1, nelectrolyte
electrolyte(je,jp,ibin) = max(0.D0,electrolyte(je,jp,ibin)) ! remove -ve
sum_dum = sum_dum + electrolyte(je,jp,ibin)
enddo
electrolyte_sum(jp,ibin) = sum_dum
if(sum_dum .eq. 0.)sum_dum = 1.0
do je = 1, nelectrolyte
epercent(je,jp,ibin) = 100.*electrolyte(je,jp,ibin)/sum_dum
enddo
return
endif
! calculate hsalt(js) ! time step
hsalt_min = 1.e25
do js = 1, nsalt
phi_prod = phi_salt(js) * phi_salt_old(js)
if(itdum .gt. 1 .and. phi_prod .gt. 0.0)then
phi_bar(js) = (abs(phi_salt(js))-abs(phi_salt_old(js)))/ &
alpha_salt(js)
else
phi_bar(js) = 0.0 ! oscillating, or phi_salt and/or phi_salt_old may be zero
endif
if(phi_bar(js) .lt. 0.0)then ! good. phi getting lower. maybe able to take bigger alphas
phi_bar(js) = max(phi_bar(js), -10.0D0)
alpha_fac = 3.0*exp(phi_bar(js))
alpha_salt(js) = min(alpha_fac*abs(phi_salt(js)), 0.9D0)
elseif(phi_bar(js) .gt. 0.0)then ! bad - phi is getting bigger. so be conservative with alpha
alpha_salt(js) = min(abs(phi_salt(js)), 0.5D0)
else ! very bad - phi is oscillating. be very conservative
alpha_salt(js) = min(abs(phi_salt(js))/3.0, 0.5D0)
endif
! alpha_salt(js) = max(alpha_salt(js), 0.01D0)
phi_salt_old(js) = phi_salt(js) ! update old array
if(flux_sl(js) .gt. 0.)then
tau_p(js) = eleliquid(js)/flux_sl(js) ! precipitation time scale
if(tau_p(js) .eq. 0.0)then
hsalt(js) = 1.e25
flux_sl(js) = 0.0
phi_salt(js)= 0.0
else
hsalt(js) = alpha_salt(js)*tau_p(js)
endif
elseif(flux_sl(js) .lt. 0.)then
tau_p(js) = -eleliquid(js)/flux_sl(js) ! precipitation time scale
tau_d(js) = -electrolyte(js,jsolid,ibin)/flux_sl(js) ! dissolution time scale
if(tau_p(js) .eq. 0.0)then
hsalt(js) = alpha_salt(js)*tau_d(js)
else
hsalt(js) = alpha_salt(js)*min(tau_p(js),tau_d(js))
endif
else
hsalt(js) = 1.e25
endif
hsalt_min = min(hsalt(js), hsalt_min)
enddo
!---------------------------------
! integrate electrolyte(solid)
do js = 1, nsalt
electrolyte(js,jsolid,ibin) = &
electrolyte(js,jsolid,ibin) + &
hsalt(js) * flux_sl(js)
enddo
! compute aer(solid) from electrolyte(solid)
call electrolytes_to_ions(jsolid,ibin)
! compute new electrolyte(liquid) from mass balance
do iaer = 1, naer
aer(iaer,jliquid,ibin) = aer(iaer,jtotal,ibin) - &
aer(iaer,jsolid,ibin)
enddo
!---------------------------------
500 continue ! end time continuation loop
!--------------------------------------------------------------------
nmesa_fail = nmesa_fail + 1
iter_mesa(ibin) = iter_mesa(ibin) + itdum
niter_mesa = niter_mesa + itdum
jaerosolstate(ibin) = mixed
jhyst_leg(ibin) = jhyst_lo
mass_wet_a(ibin) = mass_dry_a(ibin) + water_a(ibin)*1.e-3 ! g/cc(air)
vol_wet_a(ibin) = vol_dry_a(ibin) + water_a(ibin)*1.e-3 ! cc(aer)/cc(air) or m^3/m^3(air)
growth_factor(ibin) = mass_wet_a(ibin)/mass_dry_a(ibin) ! mass growth factor
return
end subroutine mesa_ptc
!***********************************************************************
! part of mesa: calculates solid-liquid fluxes of soluble salts
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine mesa_flux_salt(ibin) ! touch
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer js, je ! raz update 11/13/2008
real(kind=8) xt, calcium, sum_salt, sum_dum ! raz update 11/13/2008
! compute activities and water content
call ions_to_electrolytes(jliquid,ibin,xt)
if (istat_mosaic_fe1 .lt. 0) return
call compute_activities(ibin)
activity(jna3hso4,ibin) = 0.0
if(water_a(ibin) .le. 0.0)then
do js = 1, nsalt
flux_sl(js) = 0.0
enddo
return
endif
call mesa_estimate_eleliquid(ibin,xt)
calcium = aer(ica_a,jliquid,ibin)
! calculate percent composition ! raz update 11/13/2008
sum_dum = 0.0
do je = 1, nelectrolyte
sum_dum = sum_dum + electrolyte(je,jliquid,ibin)
enddo
if(sum_dum .eq. 0.)sum_dum = 1.0
do je = 1, nelectrolyte
epercent(je,jliquid,ibin) = 100.*electrolyte(je,jliquid,ibin)/sum_dum
enddo
! calculate % electrolyte composition in the solid and liquid phases
sum_salt = 0.0
do js = 1, nsalt
sum_salt = sum_salt + electrolyte(js,jsolid,ibin)
enddo
electrolyte_sum(jsolid,ibin) = sum_salt
if(sum_salt .eq. 0.0)sum_salt = 1.0
do js = 1, nsalt
frac_salt_solid(js) = electrolyte(js,jsolid,ibin)/sum_salt
frac_salt_liq(js) = epercent(js,jliquid,ibin)/100.
enddo
! compute salt fluxes
do js = 1, nsalt ! soluble solid salts
! compute new saturation ratio
sat_ratio(js) = activity(js,ibin)/keq_sl(js)
! compute relative driving force
phi_salt(js) = (sat_ratio(js) - 1.0)/max(sat_ratio(js),1.0D0)
! check if too little solid-phase salt is trying to dissolve
if(sat_ratio(js) .lt. 1.00 .and. &
frac_salt_solid(js) .lt. 0.01 .and. &
frac_salt_solid(js) .gt. 0.0)then
call mesa_dissolve_small_salt(ibin,js)
call mesa_estimate_eleliquid(ibin,xt)
sat_ratio(js) = activity(js,ibin)/keq_sl(js)
endif
! compute flux
flux_sl(js) = sat_ratio(js) - 1.0
! apply heaviside function
if( (sat_ratio(js) .lt. 1.0 .and. &
electrolyte(js,jsolid,ibin) .eq. 0.0) .or. &
(calcium .gt. 0.0 .and. frac_salt_liq(js).lt.0.01).or. &
(calcium .gt. 0.0 .and. jsalt_present(js).eq.0) )then
flux_sl(js) = 0.0
phi_salt(js)= 0.0
endif
enddo
! force cacl2 and cano3 fluxes to zero
sat_ratio(jcano3) = 1.0
phi_salt(jcano3) = 0.0
flux_sl(jcano3) = 0.0
sat_ratio(jcacl2) = 1.0
phi_salt(jcacl2) = 0.0
flux_sl(jcacl2) = 0.0
return
end subroutine mesa_flux_salt
!***********************************************************************
! part of mesa: calculates liquid electrolytes from ions
!
! notes:
! - this subroutine is to be used for liquid-phase or total-phase only
! - this sub transfers caso4 and caco3 from liquid to solid phase
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine mesa_estimate_eleliquid(ibin,xt) ! touch
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin, jp
real(kind=8) xt
! local variables
integer iaer, je, jc, ja, icase
real(kind=8) store(naer), sum_dum, sum_naza, sum_nczc, sum_na_nh4, &
f_nh4, f_na, xh, xb, xl, xs, xt_d, xna_d, xnh4_d, &
xdum, dum, cat_net
real(kind=8) nc(ncation), na(nanion)
real(kind=8) dum_ca, dum_no3, dum_cl, cano3, cacl2
! remove negative concentrations, if any
do iaer = 1, naer
aer(iaer,jliquid,ibin) = max(0.0D0, aer(iaer,jliquid,ibin))
enddo
! calculate sulfate ratio
call calculate_xt(ibin,jliquid,xt)
if(xt .ge. 2.0 .or. xt.lt.0.)then
icase = 1 ! near neutral (acidity is caused by hcl and/or hno3)
else
icase = 2 ! acidic (acidity is caused by excess so4)
endif
! initialize to zero
do je = 1, nelectrolyte
eleliquid(je) = 0.0
enddo
!
!---------------------------------------------------------
! initialize moles of ions depending on the sulfate domain
jp = jliquid
if(icase.eq.1)then ! xt >= 2 : sulfate poor domain
dum_ca = aer(ica_a,jp,ibin)
dum_no3 = aer(ino3_a,jp,ibin)
dum_cl = aer(icl_a,jp,ibin)
cano3 = min(dum_ca, 0.5*dum_no3)
dum_ca = max(0.D0, dum_ca - cano3)
dum_no3 = max(0.D0, dum_no3 - 2.*cano3)
cacl2 = min(dum_ca, 0.5*dum_cl)
dum_ca = max(0.D0, dum_ca - cacl2)
dum_cl = max(0.D0, dum_cl - 2.*cacl2)
na(ja_hso4)= 0.0
na(ja_so4) = aer(iso4_a,jp,ibin)
na(ja_no3) = aer(ino3_a,jp,ibin)
na(ja_cl) = aer(icl_a, jp,ibin)
na(ja_msa) = aer(imsa_a,jp,ibin)
nc(jc_ca) = aer(ica_a, jp,ibin)
nc(jc_na) = aer(ina_a, jp,ibin)
nc(jc_nh4) = aer(inh4_a,jp,ibin)
cat_net = &
( 2.d0*na(ja_so4)+na(ja_no3)+na(ja_cl)+na(ja_msa) ) - &
( nc(jc_h)+2.d0*nc(jc_ca) +nc(jc_nh4)+nc(jc_na) )
if(cat_net .lt. 0.0)then
nc(jc_h) = 0.0
else ! cat_net must be 0.0 or positive
nc(jc_h) = cat_net
endif
! now compute equivalent fractions
sum_naza = 0.0
do ja = 1, nanion
sum_naza = sum_naza + na(ja)*za(ja)
enddo
sum_nczc = 0.0
do jc = 1, ncation
sum_nczc = sum_nczc + nc(jc)*zc(jc)
enddo
if(sum_naza .eq. 0. .or. sum_nczc .eq. 0.)then
if (iprint_mosaic_diag1 .gt. 0) then
write(6,*)'subroutine mesa_estimate_eleliquid'
write(6,*)'ionic concentrations are zero'
write(6,*)'sum_naza = ', sum_naza
write(6,*)'sum_nczc = ', sum_nczc
endif
return
endif
do ja = 1, nanion
xeq_a(ja) = na(ja)*za(ja)/sum_naza
enddo
do jc = 1, ncation
xeq_c(jc) = nc(jc)*zc(jc)/sum_nczc
enddo
na_ma(ja_so4) = na(ja_so4) *mw_a(ja_so4)
na_ma(ja_no3) = na(ja_no3) *mw_a(ja_no3)
na_ma(ja_cl) = na(ja_cl) *mw_a(ja_cl)
na_ma(ja_hso4)= na(ja_hso4)*mw_a(ja_hso4)
na_Ma(ja_msa) = na(ja_msa) *MW_a(ja_msa)
nc_mc(jc_ca) = nc(jc_ca) *mw_c(jc_ca)
nc_mc(jc_na) = nc(jc_na) *mw_c(jc_na)
nc_mc(jc_nh4) = nc(jc_nh4)*mw_c(jc_nh4)
nc_mc(jc_h) = nc(jc_h) *mw_c(jc_h)
! now compute electrolyte moles
eleliquid(jna2so4) = (xeq_c(jc_na) *na_ma(ja_so4) + &
xeq_a(ja_so4)*nc_mc(jc_na))/ &
mw_electrolyte(jna2so4)
eleliquid(jnahso4) = (xeq_c(jc_na) *na_ma(ja_hso4) + &
xeq_a(ja_hso4)*nc_mc(jc_na))/ &
mw_electrolyte(jnahso4)
eleliquid(jnamsa) = (xeq_c(jc_na) *na_ma(ja_msa) + &
xeq_a(ja_msa)*nc_mc(jc_na))/ &
mw_electrolyte(jnamsa)
eleliquid(jnano3) = (xeq_c(jc_na) *na_ma(ja_no3) + &
xeq_a(ja_no3)*nc_mc(jc_na))/ &
mw_electrolyte(jnano3)
eleliquid(jnacl) = (xeq_c(jc_na) *na_ma(ja_cl) + &
xeq_a(ja_cl) *nc_mc(jc_na))/ &
mw_electrolyte(jnacl)
eleliquid(jnh4so4) = (xeq_c(jc_nh4)*na_ma(ja_so4) + &
xeq_a(ja_so4)*nc_mc(jc_nh4))/ &
mw_electrolyte(jnh4so4)
eleliquid(jnh4hso4)= (xeq_c(jc_nh4)*na_ma(ja_hso4) + &
xeq_a(ja_hso4)*nc_mc(jc_nh4))/ &
mw_electrolyte(jnh4hso4)
eleliquid(jnh4msa) = (xeq_c(jc_nh4) *na_ma(ja_msa) + &
xeq_a(ja_msa)*nc_mc(jc_nh4))/ &
mw_electrolyte(jnh4msa)
eleliquid(jnh4no3) = (xeq_c(jc_nh4)*na_ma(ja_no3) + &
xeq_a(ja_no3)*nc_mc(jc_nh4))/ &
mw_electrolyte(jnh4no3)
eleliquid(jnh4cl) = (xeq_c(jc_nh4)*na_ma(ja_cl) + &
xeq_a(ja_cl) *nc_mc(jc_nh4))/ &
mw_electrolyte(jnh4cl)
eleliquid(jcano3) = (xeq_c(jc_ca) *na_ma(ja_no3) + &
xeq_a(ja_no3)*nc_mc(jc_ca))/ &
mw_electrolyte(jcano3)
eleliquid(jcamsa2) = (xeq_c(jc_ca) *na_ma(ja_msa) + &
xeq_a(ja_msa)*nc_mc(jc_ca))/ &
mw_electrolyte(jcamsa2)
eleliquid(jcacl2) = (xeq_c(jc_ca) *na_ma(ja_cl) + &
xeq_a(ja_cl) *nc_mc(jc_ca))/ &
mw_electrolyte(jcacl2)
eleliquid(jh2so4) = (xeq_c(jc_h) *na_ma(ja_hso4) + &
xeq_a(ja_hso4)*nc_mc(jc_h))/ &
mw_electrolyte(jh2so4)
eleliquid(jhno3) = (xeq_c(jc_h) *na_ma(ja_no3) + &
xeq_a(ja_no3)*nc_mc(jc_h))/ &
mw_electrolyte(jhno3)
eleliquid(jhcl) = (xeq_c(jc_h) *na_ma(ja_cl) + &
xeq_a(ja_cl)*nc_mc(jc_h))/ &
mw_electrolyte(jhcl)
eleliquid(jmsa) = (xeq_c(jc_h) *na_ma(ja_msa) + &
xeq_a(ja_msa)*nc_mc(jc_h))/ &
mw_electrolyte(jmsa)
!--------------------------------------------------------------------
elseif(icase.eq.2)then ! xt < 2 : sulfate rich domain
jp = jliquid
store(iso4_a) = aer(iso4_a,jp,ibin)
store(imsa_a) = aer(imsa_a,jp,ibin)
store(inh4_a) = aer(inh4_a,jp,ibin)
store(ina_a) = aer(ina_a, jp,ibin)
store(ica_a) = aer(ica_a, jp,ibin)
call form_camsa2(store,jp,ibin)
sum_na_nh4 = store(ina_a) + store(inh4_a)
if(sum_na_nh4 .gt. 0.0)then
f_nh4 = store(inh4_a)/sum_na_nh4
f_na = store(ina_a)/sum_na_nh4
else
f_nh4 = 0.0
f_na = 0.0
endif
! first form msa electrolytes
if(sum_na_nh4 .gt. store(imsa_a))then
eleliquid(jnh4msa) = f_nh4*store(imsa_a)
eleliquid(jnamsa) = f_na *store(imsa_a)
store(inh4_a)= store(inh4_a)-eleliquid(jnh4msa) ! remaining nh4
store(ina_a) = store(ina_a) -eleliquid(jnamsa) ! remaining na
else
eleliquid(jnh4msa) = store(inh4_a)
eleliquid(jnamsa) = store(ina_a)
eleliquid(jmsa) = store(imsa_a) - sum_na_nh4
store(inh4_a)= 0.0 ! remaining nh4
store(ina_a) = 0.0 ! remaining na
endif
if(store(iso4_a).eq.0.0)goto 10
xt_d = xt
xna_d = 1. + 0.5*aer(ina_a,jp,ibin)/aer(iso4_a,jp,ibin)
xdum = aer(iso4_a,jp,ibin) - aer(inh4_a,jp,ibin)
dum = 2.d0*aer(iso4_a,jp,ibin) - aer(ina_a,jp,ibin)
if(aer(inh4_a,jp,ibin) .gt. 0.0 .and. dum .gt. 0.0)then
xnh4_d = 2.*aer(inh4_a,jp,ibin)/ &
(2.*aer(iso4_a,jp,ibin) - aer(ina_a,jp,ibin))
else
xnh4_d = 0.0
endif
if(aer(inh4_a,jp,ibin) .gt. 0.0)then
if(xt_d .ge. xna_d)then
eleliquid(jna2so4) = 0.5*aer(ina_a,jp,ibin)
if(xnh4_d .ge. 5./3.)then
eleliquid(jnh4so4) = 1.5*aer(ina_a,jp,ibin) &
- 3.*xdum - aer(inh4_a,jp,ibin)
eleliquid(jlvcite) = 2.*xdum + aer(inh4_a,jp,ibin) &
- aer(ina_a,jp,ibin)
elseif(xnh4_d .ge. 1.5)then
eleliquid(jnh4so4) = aer(inh4_a,jp,ibin)/5.
eleliquid(jlvcite) = aer(inh4_a,jp,ibin)/5.
elseif(xnh4_d .ge. 1.0)then
eleliquid(jnh4so4) = aer(inh4_a,jp,ibin)/6.
eleliquid(jlvcite) = aer(inh4_a,jp,ibin)/6.
eleliquid(jnh4hso4)= aer(inh4_a,jp,ibin)/6.
endif
elseif(xt_d .gt. 1.0)then
eleliquid(jnh4so4) = aer(inh4_a,jp,ibin)/6.
eleliquid(jlvcite) = aer(inh4_a,jp,ibin)/6.
eleliquid(jnh4hso4) = aer(inh4_a,jp,ibin)/6.
eleliquid(jna2so4) = aer(ina_a,jp,ibin)/3.
eleliquid(jnahso4) = aer(ina_a,jp,ibin)/3.
elseif(xt_d .le. 1.0)then
eleliquid(jna2so4) = aer(ina_a,jp,ibin)/4.
eleliquid(jnahso4) = aer(ina_a,jp,ibin)/2.
eleliquid(jlvcite) = aer(inh4_a,jp,ibin)/6.
eleliquid(jnh4hso4) = aer(inh4_a,jp,ibin)/2.
endif
else
if(xt_d .gt. 1.0)then
eleliquid(jna2so4) = aer(ina_a,jp,ibin) - aer(iso4_a,jp,ibin)
eleliquid(jnahso4) = 2.*aer(iso4_a,jp,ibin) - &
aer(ina_a,jp,ibin)
else
eleliquid(jna2so4) = aer(ina_a,jp,ibin)/4.
eleliquid(jnahso4) = aer(ina_a,jp,ibin)/2.
endif
endif
endif
!---------------------------------------------------------
10 return
end subroutine mesa_estimate_eleliquid
!***********************************************************************
! part of mesa: completely dissolves small amounts of soluble salts
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine mesa_dissolve_small_salt(ibin,js)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin, js, jp
jp = jsolid
if(js .eq. jnh4so4)then
aer(inh4_a,jliquid,ibin) = aer(inh4_a,jliquid,ibin) + &
2.*electrolyte(js,jsolid,ibin)
aer(iso4_a,jliquid,ibin) = aer(iso4_a,jliquid,ibin) + &
electrolyte(js,jsolid,ibin)
electrolyte(js,jsolid,ibin) = 0.0
aer(inh4_a,jp,ibin) = electrolyte(jnh4no3,jp,ibin) + &
electrolyte(jnh4cl,jp,ibin) + &
2.*electrolyte(jnh4so4,jp,ibin) + &
3.*electrolyte(jlvcite,jp,ibin) + &
electrolyte(jnh4hso4,jp,ibin)+ &
electrolyte(jnh4msa,jp,ibin)
aer(iso4_a,jp,ibin) = electrolyte(jcaso4,jp,ibin) + &
electrolyte(jna2so4,jp,ibin) + &
2.*electrolyte(jna3hso4,jp,ibin)+ &
electrolyte(jnahso4,jp,ibin) + &
electrolyte(jnh4so4,jp,ibin) + &
2.*electrolyte(jlvcite,jp,ibin) + &
electrolyte(jnh4hso4,jp,ibin)+ &
electrolyte(jh2so4,jp,ibin)
return
endif
if(js .eq. jlvcite)then
aer(inh4_a,jliquid,ibin) = aer(inh4_a,jliquid,ibin) + &
3.*electrolyte(js,jsolid,ibin)
aer(iso4_a,jliquid,ibin) = aer(iso4_a,jliquid,ibin) + &
2.*electrolyte(js,jsolid,ibin)
electrolyte(js,jsolid,ibin) = 0.0
aer(inh4_a,jp,ibin) = electrolyte(jnh4no3,jp,ibin) + &
electrolyte(jnh4cl,jp,ibin) + &
2.*electrolyte(jnh4so4,jp,ibin) + &
3.*electrolyte(jlvcite,jp,ibin) + &
electrolyte(jnh4hso4,jp,ibin)+ &
electrolyte(jnh4msa,jp,ibin)
aer(iso4_a,jp,ibin) = electrolyte(jcaso4,jp,ibin) + &
electrolyte(jna2so4,jp,ibin) + &
2.*electrolyte(jna3hso4,jp,ibin)+ &
electrolyte(jnahso4,jp,ibin) + &
electrolyte(jnh4so4,jp,ibin) + &
2.*electrolyte(jlvcite,jp,ibin) + &
electrolyte(jnh4hso4,jp,ibin)+ &
electrolyte(jh2so4,jp,ibin)
return
endif
if(js .eq. jnh4hso4)then
aer(inh4_a,jliquid,ibin) = aer(inh4_a,jliquid,ibin) + &
electrolyte(js,jsolid,ibin)
aer(iso4_a,jliquid,ibin) = aer(iso4_a,jliquid,ibin) + &
electrolyte(js,jsolid,ibin)
electrolyte(js,jsolid,ibin) = 0.0
aer(inh4_a,jp,ibin) = electrolyte(jnh4no3,jp,ibin) + &
electrolyte(jnh4cl,jp,ibin) + &
2.*electrolyte(jnh4so4,jp,ibin) + &
3.*electrolyte(jlvcite,jp,ibin) + &
electrolyte(jnh4hso4,jp,ibin)+ &
electrolyte(jnh4msa,jp,ibin)
aer(iso4_a,jp,ibin) = electrolyte(jcaso4,jp,ibin) + &
electrolyte(jna2so4,jp,ibin) + &
2.*electrolyte(jna3hso4,jp,ibin)+ &
electrolyte(jnahso4,jp,ibin) + &
electrolyte(jnh4so4,jp,ibin) + &
2.*electrolyte(jlvcite,jp,ibin) + &
electrolyte(jnh4hso4,jp,ibin)+ &
electrolyte(jh2so4,jp,ibin)
return
endif
if(js .eq. jna2so4)then
aer(ina_a,jliquid,ibin) = aer(ina_a,jliquid,ibin) + &
2.*electrolyte(js,jsolid,ibin)
aer(iso4_a,jliquid,ibin) = aer(iso4_a,jliquid,ibin) + &
electrolyte(js,jsolid,ibin)
electrolyte(js,jsolid,ibin) = 0.0
aer(ina_a,jp,ibin) = electrolyte(jnano3,jp,ibin) + &
electrolyte(jnacl,jp,ibin) + &
2.*electrolyte(jna2so4,jp,ibin) + &
3.*electrolyte(jna3hso4,jp,ibin)+ &
electrolyte(jnahso4,jp,ibin) + &
electrolyte(jnamsa,jp,ibin)
aer(iso4_a,jp,ibin) = electrolyte(jcaso4,jp,ibin) + &
electrolyte(jna2so4,jp,ibin) + &
2.*electrolyte(jna3hso4,jp,ibin)+ &
electrolyte(jnahso4,jp,ibin) + &
electrolyte(jnh4so4,jp,ibin) + &
2.*electrolyte(jlvcite,jp,ibin) + &
electrolyte(jnh4hso4,jp,ibin)+ &
electrolyte(jh2so4,jp,ibin)
return
endif
if(js .eq. jna3hso4)then
aer(ina_a,jliquid,ibin) = aer(ina_a,jliquid,ibin) + &
3.*electrolyte(js,jsolid,ibin)
aer(iso4_a,jliquid,ibin) = aer(iso4_a,jliquid,ibin) + &
2.*electrolyte(js,jsolid,ibin)
electrolyte(js,jsolid,ibin) = 0.0
aer(ina_a,jp,ibin) = electrolyte(jnano3,jp,ibin) + &
electrolyte(jnacl,jp,ibin) + &
2.*electrolyte(jna2so4,jp,ibin) + &
3.*electrolyte(jna3hso4,jp,ibin)+ &
electrolyte(jnahso4,jp,ibin) + &
electrolyte(jnamsa,jp,ibin)
aer(iso4_a,jp,ibin) = electrolyte(jcaso4,jp,ibin) + &
electrolyte(jna2so4,jp,ibin) + &
2.*electrolyte(jna3hso4,jp,ibin)+ &
electrolyte(jnahso4,jp,ibin) + &
electrolyte(jnh4so4,jp,ibin) + &
2.*electrolyte(jlvcite,jp,ibin) + &
electrolyte(jnh4hso4,jp,ibin)+ &
electrolyte(jh2so4,jp,ibin)
return
endif
if(js .eq. jnahso4)then
aer(ina_a,jliquid,ibin) = aer(ina_a,jliquid,ibin) + &
electrolyte(js,jsolid,ibin)
aer(iso4_a,jliquid,ibin) = aer(iso4_a,jliquid,ibin) + &
electrolyte(js,jsolid,ibin)
electrolyte(js,jsolid,ibin) = 0.0
aer(ina_a,jp,ibin) = electrolyte(jnano3,jp,ibin) + &
electrolyte(jnacl,jp,ibin) + &
2.*electrolyte(jna2so4,jp,ibin) + &
3.*electrolyte(jna3hso4,jp,ibin)+ &
electrolyte(jnahso4,jp,ibin) + &
electrolyte(jnamsa,jp,ibin)
aer(iso4_a,jp,ibin) = electrolyte(jcaso4,jp,ibin) + &
electrolyte(jna2so4,jp,ibin) + &
2.*electrolyte(jna3hso4,jp,ibin)+ &
electrolyte(jnahso4,jp,ibin) + &
electrolyte(jnh4so4,jp,ibin) + &
2.*electrolyte(jlvcite,jp,ibin) + &
electrolyte(jnh4hso4,jp,ibin)+ &
electrolyte(jh2so4,jp,ibin)
return
endif
if(js .eq. jnh4no3)then
aer(inh4_a,jliquid,ibin) = aer(inh4_a,jliquid,ibin) + &
electrolyte(js,jsolid,ibin)
aer(ino3_a,jliquid,ibin) = aer(ino3_a,jliquid,ibin) + &
electrolyte(js,jsolid,ibin)
electrolyte(js,jsolid,ibin) = 0.0
aer(inh4_a,jp,ibin) = electrolyte(jnh4no3,jp,ibin) + &
electrolyte(jnh4cl,jp,ibin) + &
2.*electrolyte(jnh4so4,jp,ibin) + &
3.*electrolyte(jlvcite,jp,ibin) + &
electrolyte(jnh4hso4,jp,ibin)+ &
electrolyte(jnh4msa,jp,ibin)
aer(ino3_a,jp,ibin) = electrolyte(jnano3,jp,ibin) + &
2.*electrolyte(jcano3,jp,ibin) + &
electrolyte(jnh4no3,jp,ibin) + &
electrolyte(jhno3,jp,ibin)
return
endif
if(js .eq. jnh4cl)then
aer(inh4_a,jliquid,ibin) = aer(inh4_a,jliquid,ibin) + &
electrolyte(js,jsolid,ibin)
aer(icl_a,jliquid,ibin) = aer(icl_a,jliquid,ibin) + &
electrolyte(js,jsolid,ibin)
electrolyte(js,jsolid,ibin) = 0.0
aer(inh4_a,jp,ibin) = electrolyte(jnh4no3,jp,ibin) + &
electrolyte(jnh4cl,jp,ibin) + &
2.*electrolyte(jnh4so4,jp,ibin) + &
3.*electrolyte(jlvcite,jp,ibin) + &
electrolyte(jnh4hso4,jp,ibin)+ &
electrolyte(jnh4msa,jp,ibin)
aer(icl_a,jp,ibin) = electrolyte(jnacl,jp,ibin) + &
2.*electrolyte(jcacl2,jp,ibin) + &
electrolyte(jnh4cl,jp,ibin) + &
electrolyte(jhcl,jp,ibin)
return
endif
if(js .eq. jnano3)then
aer(ina_a,jliquid,ibin) = aer(ina_a,jliquid,ibin) + &
electrolyte(js,jsolid,ibin)
aer(ino3_a,jliquid,ibin) = aer(ino3_a,jliquid,ibin) + &
electrolyte(js,jsolid,ibin)
electrolyte(js,jsolid,ibin) = 0.0
aer(ina_a,jp,ibin) = electrolyte(jnano3,jp,ibin) + &
electrolyte(jnacl,jp,ibin) + &
2.*electrolyte(jna2so4,jp,ibin) + &
3.*electrolyte(jna3hso4,jp,ibin)+ &
electrolyte(jnahso4,jp,ibin) + &
electrolyte(jnamsa,jp,ibin)
aer(ino3_a,jp,ibin) = electrolyte(jnano3,jp,ibin) + &
2.*electrolyte(jcano3,jp,ibin) + &
electrolyte(jnh4no3,jp,ibin) + &
electrolyte(jhno3,jp,ibin)
return
endif
if(js .eq. jnacl)then
aer(ina_a,jliquid,ibin) = aer(ina_a,jliquid,ibin) + &
electrolyte(js,jsolid,ibin)
aer(icl_a,jliquid,ibin) = aer(icl_a,jliquid,ibin) + &
electrolyte(js,jsolid,ibin)
electrolyte(js,jsolid,ibin) = 0.0
aer(ina_a,jp,ibin) = electrolyte(jnano3,jp,ibin) + &
electrolyte(jnacl,jp,ibin) + &
2.*electrolyte(jna2so4,jp,ibin) + &
3.*electrolyte(jna3hso4,jp,ibin)+ &
electrolyte(jnahso4,jp,ibin) + &
electrolyte(jnamsa,jp,ibin)
aer(icl_a,jp,ibin) = electrolyte(jnacl,jp,ibin) + &
2.*electrolyte(jcacl2,jp,ibin) + &
electrolyte(jnh4cl,jp,ibin) + &
electrolyte(jhcl,jp,ibin)
return
endif
if(js .eq. jcano3)then
aer(ica_a,jliquid,ibin) = aer(ica_a,jliquid,ibin) + &
electrolyte(js,jsolid,ibin)
aer(ino3_a,jliquid,ibin) = aer(ino3_a,jliquid,ibin) + &
2.*electrolyte(js,jsolid,ibin)
electrolyte(js,jsolid,ibin) = 0.0
aer(ica_a,jp,ibin) = electrolyte(jcaso4,jp,ibin) + &
electrolyte(jcano3,jp,ibin) + &
electrolyte(jcacl2,jp,ibin) + &
electrolyte(jcaco3,jp,ibin) + &
electrolyte(jcamsa2,jp,ibin)
aer(ino3_a,jp,ibin) = electrolyte(jnano3,jp,ibin) + &
2.*electrolyte(jcano3,jp,ibin) + &
electrolyte(jnh4no3,jp,ibin) + &
electrolyte(jhno3,jp,ibin)
return
endif
if(js .eq. jcacl2)then
aer(ica_a,jliquid,ibin) = aer(ica_a,jliquid,ibin) + &
electrolyte(js,jsolid,ibin)
aer(icl_a,jliquid,ibin) = aer(icl_a,jliquid,ibin) + &
2.*electrolyte(js,jsolid,ibin)
electrolyte(js,jsolid,ibin) = 0.0
aer(ica_a,jp,ibin) = electrolyte(jcaso4,jp,ibin) + &
electrolyte(jcano3,jp,ibin) + &
electrolyte(jcacl2,jp,ibin) + &
electrolyte(jcaco3,jp,ibin) + &
electrolyte(jcamsa2,jp,ibin)
aer(icl_a,jp,ibin) = electrolyte(jnacl,jp,ibin) + &
2.*electrolyte(jcacl2,jp,ibin) + &
electrolyte(jnh4cl,jp,ibin) + &
electrolyte(jhcl,jp,ibin)
return
endif
return
end subroutine mesa_dissolve_small_salt
!***********************************************************************
! part of mesa: checks mesa convergence
!
! author: rahul a. zaveri
! update: jan 2005
! Oct 2009: William.Gustafson@pnl.gov - zero salt bug fixed
!-----------------------------------------------------------------------
subroutine mesa_convergence_criterion(ibin, & ! touch
iconverge_mass, &
iconverge_flux, &
idissolved)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin, iconverge_mass, iconverge_flux, idissolved
! local variables
integer je, js, iaer
real(kind=8) mass_solid, mass_solid_salt, frac_solid, xt, h_ion, &
crustal_solids, sumflux
idissolved = mno ! default = not completely dissolved
! check mass convergence
iconverge_mass = mno ! default value = no convergence
! call electrolytes_to_ions(jsolid,ibin)
! mass_solid = 0.0
! do iaer = 1, naer
! mass_solid = mass_solid + &
! aer(iaer,jsolid,ibin)*mw_aer_mac(iaer)*1.e-15 ! g/cc(air)
! enddo
mass_solid_salt = 0.0
do je = 1, nsalt
mass_solid_salt = mass_solid_salt + &
electrolyte(je,jsolid,ibin)*mw_electrolyte(je)*1.e-15 ! g/cc(air)
enddo
! frac_solid = mass_solid/mass_dry_a(ibin)
!!$ frac_solid = mass_solid_salt/mass_dry_salt(ibin)
!!$
!!$ if(frac_solid .ge. 0.98)then
!!$ iconverge_mass = myes
!!$ return
!!$ endif
!beg: Modified above logic to handle zero salts, wig 28-Oct-2009
! If mass of salts is zero, then this will force jaerosolstate to solid
! in mesa_ptc.
if( mass_dry_salt(ibin) < 1e-30 ) then
iconverge_mass = myes
return
else
frac_solid = mass_solid_salt/mass_dry_salt(ibin)
if(frac_solid .ge. 0.98)then
iconverge_mass = myes
return
endif
end if
!end wig
! check relative driving force convergence
iconverge_flux = myes
do js = 1, nsalt
if(abs(phi_salt(js)).gt. rtol_mesa)then
iconverge_flux = mno
return
endif
enddo
! check if all the fluxes are zero
sumflux = 0.0
do js = 1, nsalt
sumflux = sumflux + abs(flux_sl(js))
enddo
! 2017.12.03 implement xhyst_up_crustal_thresh
! crustal_solids = electrolyte(jcaco3,jsolid,ibin) + &
! electrolyte(jcaso4,jsolid,ibin) + &
! aer(ioin_a,jsolid,ibin)
crustal_solids = electrolyte(jcaco3,jsolid,ibin)*mw_electrolyte(jcaco3) + &
electrolyte(jcaso4,jsolid,ibin)*mw_electrolyte(jcaso4) + &
aer(ioin_a,jsolid,ibin)*mw_aer_mac(ioin_a)
! if(sumflux .eq. 0.0 .and. crustal_solids .eq. 0.0)then
if ( sumflux .eq. 0.0 .and. &
crustal_solids .le. xhyst_up_crustal_thresh*(mass_dry_a(ibin)*1.0e15) ) then
! crustal_solids is ng/m^3, mass_dry_a is g/cm^3
idissolved = myes
endif
return
end subroutine mesa_convergence_criterion
!***********************************************************************
! called when aerosol bin is completely solid.
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine adjust_solid_aerosol(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer iaer, je
jphase(ibin) = jsolid
jhyst_leg(ibin) = jhyst_lo ! lower curve
water_a(ibin) = 0.0
! transfer aer(jtotal) to aer(jsolid)
do iaer = 1, naer
aer(iaer, jsolid, ibin) = aer(iaer,jtotal,ibin)
aer(iaer, jliquid,ibin) = 0.0
enddo
! transfer electrolyte(jtotal) to electrolyte(jsolid)
do je = 1, nelectrolyte
electrolyte(je,jliquid,ibin) = 0.0
epercent(je,jliquid,ibin) = 0.0
electrolyte(je,jsolid,ibin) = electrolyte(je,jtotal,ibin)
epercent(je,jsolid,ibin) = epercent(je,jtotal,ibin)
enddo
! update aer(jtotal) that may have been affected above
aer(inh4_a,jtotal,ibin) = aer(inh4_a,jsolid,ibin)
aer(ino3_a,jtotal,ibin) = aer(ino3_a,jsolid,ibin)
aer(icl_a,jtotal,ibin) = aer(icl_a,jsolid,ibin)
! update electrolyte(jtotal)
do je = 1, nelectrolyte
electrolyte(je,jtotal,ibin) = electrolyte(je,jsolid,ibin)
epercent(je,jtotal,ibin) = epercent(je,jsolid,ibin)
enddo
return
end subroutine adjust_solid_aerosol
!***********************************************************************
! called when aerosol bin is completely liquid.
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine adjust_liquid_aerosol(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer je
jphase(ibin) = jliquid
jhyst_leg(ibin) = jhyst_up ! upper curve
! partition all electrolytes into liquid phase
do je = 1, nelectrolyte
electrolyte(je,jsolid,ibin) = 0.0
epercent(je,jsolid,ibin) = 0.0
electrolyte(je,jliquid,ibin) = electrolyte(je,jtotal,ibin)
epercent(je,jliquid,ibin) = epercent(je,jtotal,ibin)
enddo
! except these electrolytes, which always remain in the solid phase
electrolyte(jcaco3,jsolid,ibin) = electrolyte(jcaco3,jtotal,ibin)
electrolyte(jcaso4,jsolid,ibin) = electrolyte(jcaso4,jtotal,ibin)
epercent(jcaco3,jsolid,ibin) = epercent(jcaco3,jtotal,ibin)
epercent(jcaso4,jsolid,ibin) = epercent(jcaso4,jtotal,ibin)
electrolyte(jcaco3,jliquid,ibin)= 0.0
electrolyte(jcaso4,jliquid,ibin)= 0.0
epercent(jcaco3,jliquid,ibin) = 0.0
epercent(jcaso4,jliquid,ibin) = 0.0
! partition all the aer species into
! solid phase
aer(iso4_a,jsolid,ibin) = electrolyte(jcaso4,jsolid,ibin)
aer(ino3_a,jsolid,ibin) = 0.0
aer(icl_a,jsolid,ibin) = 0.0
aer(inh4_a,jsolid,ibin) = 0.0
aer(ioc_a,jsolid,ibin) = aer(ioc_a,jtotal,ibin)
aer(imsa_a,jsolid,ibin) = 0.0
aer(ico3_a,jsolid,ibin) = aer(ico3_a,jtotal,ibin)
aer(ina_a,jsolid,ibin) = 0.0
aer(ica_a,jsolid,ibin) = electrolyte(jcaco3,jsolid,ibin) + &
electrolyte(jcaso4,jsolid,ibin)
aer(ibc_a,jsolid,ibin) = aer(ibc_a,jtotal,ibin)
aer(ioin_a,jsolid,ibin) = aer(ioin_a,jtotal,ibin)
aer(ipcg1_b_c_a,jsolid,ibin)= aer(ipcg1_b_c_a,jtotal,ibin)
aer(ipcg2_b_c_a,jsolid,ibin)= aer(ipcg2_b_c_a,jtotal,ibin)
aer(ipcg3_b_c_a,jsolid,ibin)= aer(ipcg3_b_c_a,jtotal,ibin)
aer(ipcg4_b_c_a,jsolid,ibin)= aer(ipcg4_b_c_a,jtotal,ibin)
aer(ipcg5_b_c_a,jsolid,ibin)= aer(ipcg5_b_c_a,jtotal,ibin)
aer(ipcg6_b_c_a,jsolid,ibin)= aer(ipcg6_b_c_a,jtotal,ibin)
aer(ipcg7_b_c_a,jsolid,ibin)= aer(ipcg7_b_c_a,jtotal,ibin)
aer(ipcg8_b_c_a,jsolid,ibin)= aer(ipcg8_b_c_a,jtotal,ibin)
aer(ipcg9_b_c_a,jsolid,ibin)= aer(ipcg9_b_c_a,jtotal,ibin)
aer(ipcg1_b_o_a,jsolid,ibin)= aer(ipcg1_b_o_a,jtotal,ibin)
aer(ipcg2_b_o_a,jsolid,ibin)= aer(ipcg2_b_o_a,jtotal,ibin)
aer(ipcg3_b_o_a,jsolid,ibin)= aer(ipcg3_b_o_a,jtotal,ibin)
aer(ipcg4_b_o_a,jsolid,ibin)= aer(ipcg4_b_o_a,jtotal,ibin)
aer(ipcg5_b_o_a,jsolid,ibin)= aer(ipcg5_b_o_a,jtotal,ibin)
aer(ipcg6_b_o_a,jsolid,ibin)= aer(ipcg6_b_o_a,jtotal,ibin)
aer(ipcg7_b_o_a,jsolid,ibin)= aer(ipcg7_b_o_a,jtotal,ibin)
aer(ipcg8_b_o_a,jsolid,ibin)= aer(ipcg8_b_o_a,jtotal,ibin)
aer(ipcg9_b_o_a,jsolid,ibin)= aer(ipcg9_b_o_a,jtotal,ibin)
aer(iopcg1_b_c_a,jsolid,ibin)= aer(iopcg1_b_c_a,jtotal,ibin)
aer(iopcg2_b_c_a,jsolid,ibin)= aer(iopcg2_b_c_a,jtotal,ibin)
aer(iopcg3_b_c_a,jsolid,ibin)= aer(iopcg3_b_c_a,jtotal,ibin)
aer(iopcg4_b_c_a,jsolid,ibin)= aer(iopcg4_b_c_a,jtotal,ibin)
aer(iopcg5_b_c_a,jsolid,ibin)= aer(iopcg5_b_c_a,jtotal,ibin)
aer(iopcg6_b_c_a,jsolid,ibin)= aer(iopcg6_b_c_a,jtotal,ibin)
aer(iopcg7_b_c_a,jsolid,ibin)= aer(iopcg7_b_c_a,jtotal,ibin)
aer(iopcg8_b_c_a,jsolid,ibin)= aer(iopcg8_b_c_a,jtotal,ibin)
aer(iopcg1_b_o_a,jsolid,ibin)= aer(iopcg1_b_o_a,jtotal,ibin)
aer(iopcg2_b_o_a,jsolid,ibin)= aer(iopcg2_b_o_a,jtotal,ibin)
aer(iopcg3_b_o_a,jsolid,ibin)= aer(iopcg3_b_o_a,jtotal,ibin)
aer(iopcg4_b_o_a,jsolid,ibin)= aer(iopcg4_b_o_a,jtotal,ibin)
aer(iopcg5_b_o_a,jsolid,ibin)= aer(iopcg5_b_o_a,jtotal,ibin)
aer(iopcg6_b_o_a,jsolid,ibin)= aer(iopcg6_b_o_a,jtotal,ibin)
aer(iopcg7_b_o_a,jsolid,ibin)= aer(iopcg7_b_o_a,jtotal,ibin)
aer(iopcg8_b_o_a,jsolid,ibin)= aer(iopcg8_b_o_a,jtotal,ibin)
aer(ipcg1_f_c_a,jsolid,ibin)= aer(ipcg1_f_c_a,jtotal,ibin)
aer(ipcg2_f_c_a,jsolid,ibin)= aer(ipcg2_f_c_a,jtotal,ibin)
aer(ipcg3_f_c_a,jsolid,ibin)= aer(ipcg3_f_c_a,jtotal,ibin)
aer(ipcg4_f_c_a,jsolid,ibin)= aer(ipcg4_f_c_a,jtotal,ibin)
aer(ipcg5_f_c_a,jsolid,ibin)= aer(ipcg5_f_c_a,jtotal,ibin)
aer(ipcg6_f_c_a,jsolid,ibin)= aer(ipcg6_f_c_a,jtotal,ibin)
aer(ipcg7_f_c_a,jsolid,ibin)= aer(ipcg7_f_c_a,jtotal,ibin)
aer(ipcg8_f_c_a,jsolid,ibin)= aer(ipcg8_f_c_a,jtotal,ibin)
aer(ipcg9_f_c_a,jsolid,ibin)= aer(ipcg9_f_c_a,jtotal,ibin)
aer(ipcg1_f_o_a,jsolid,ibin)= aer(ipcg1_f_o_a,jtotal,ibin)
aer(ipcg2_f_o_a,jsolid,ibin)= aer(ipcg2_f_o_a,jtotal,ibin)
aer(ipcg3_f_o_a,jsolid,ibin)= aer(ipcg3_f_o_a,jtotal,ibin)
aer(ipcg4_f_o_a,jsolid,ibin)= aer(ipcg4_f_o_a,jtotal,ibin)
aer(ipcg5_f_o_a,jsolid,ibin)= aer(ipcg5_f_o_a,jtotal,ibin)
aer(ipcg6_f_o_a,jsolid,ibin)= aer(ipcg6_f_o_a,jtotal,ibin)
aer(ipcg7_f_o_a,jsolid,ibin)= aer(ipcg7_f_o_a,jtotal,ibin)
aer(ipcg8_f_o_a,jsolid,ibin)= aer(ipcg8_f_o_a,jtotal,ibin)
aer(ipcg9_f_o_a,jsolid,ibin)= aer(ipcg9_f_o_a,jtotal,ibin)
aer(iopcg1_f_c_a,jsolid,ibin)= aer(iopcg1_f_c_a,jtotal,ibin)
aer(iopcg2_f_c_a,jsolid,ibin)= aer(iopcg2_f_c_a,jtotal,ibin)
aer(iopcg3_f_c_a,jsolid,ibin)= aer(iopcg3_f_c_a,jtotal,ibin)
aer(iopcg4_f_c_a,jsolid,ibin)= aer(iopcg4_f_c_a,jtotal,ibin)
aer(iopcg5_f_c_a,jsolid,ibin)= aer(iopcg5_f_c_a,jtotal,ibin)
aer(iopcg6_f_c_a,jsolid,ibin)= aer(iopcg6_f_c_a,jtotal,ibin)
aer(iopcg7_f_c_a,jsolid,ibin)= aer(iopcg7_f_c_a,jtotal,ibin)
aer(iopcg8_f_c_a,jsolid,ibin)= aer(iopcg8_f_c_a,jtotal,ibin)
aer(iopcg1_f_o_a,jsolid,ibin)= aer(iopcg1_f_o_a,jtotal,ibin)
aer(iopcg2_f_o_a,jsolid,ibin)= aer(iopcg2_f_o_a,jtotal,ibin)
aer(iopcg3_f_o_a,jsolid,ibin)= aer(iopcg3_f_o_a,jtotal,ibin)
aer(iopcg4_f_o_a,jsolid,ibin)= aer(iopcg4_f_o_a,jtotal,ibin)
aer(iopcg5_f_o_a,jsolid,ibin)= aer(iopcg5_f_o_a,jtotal,ibin)
aer(iopcg6_f_o_a,jsolid,ibin)= aer(iopcg6_f_o_a,jtotal,ibin)
aer(iopcg7_f_o_a,jsolid,ibin)= aer(iopcg7_f_o_a,jtotal,ibin)
aer(iopcg8_f_o_a,jsolid,ibin)= aer(iopcg8_f_o_a,jtotal,ibin)
aer(ismpa_a,jsolid,ibin)= aer(ismpa_a,jtotal,ibin)
aer(ismpbb_a,jsolid,ibin)= aer(ismpbb_a,jtotal,ibin)
aer(iglysoa_r1_a,jsolid,ibin)= aer(iglysoa_r1_a,jtotal,ibin)
aer(iglysoa_r2_a,jsolid,ibin)= aer(iglysoa_r2_a,jtotal,ibin)
aer(iglysoa_sfc_a,jsolid,ibin)= aer(iglysoa_sfc_a,jtotal,ibin)
aer(iglysoa_nh4_a,jsolid,ibin)= aer(iglysoa_nh4_a,jtotal,ibin)
aer(iglysoa_oh_a,jsolid,ibin)= aer(iglysoa_oh_a,jtotal,ibin)
aer(iant1_c_a,jsolid,ibin)= aer(iant1_c_a,jtotal,ibin)
aer(iant2_c_a,jsolid,ibin)= aer(iant2_c_a,jtotal,ibin)
aer(iant3_c_a,jsolid,ibin)= aer(iant3_c_a,jtotal,ibin)
aer(iant4_c_a,jsolid,ibin)= aer(iant4_c_a,jtotal,ibin)
aer(iant1_o_a,jsolid,ibin)= aer(iant1_o_a,jtotal,ibin)
aer(iant2_o_a,jsolid,ibin)= aer(iant2_o_a,jtotal,ibin)
aer(iant3_o_a,jsolid,ibin)= aer(iant3_o_a,jtotal,ibin)
aer(iant4_o_a,jsolid,ibin)= aer(iant4_o_a,jtotal,ibin)
aer(ibiog1_c_a,jsolid,ibin)= aer(ibiog1_c_a,jtotal,ibin)
aer(ibiog2_c_a,jsolid,ibin)= aer(ibiog2_c_a,jtotal,ibin)
aer(ibiog3_c_a,jsolid,ibin)= aer(ibiog3_c_a,jtotal,ibin)
aer(ibiog4_c_a,jsolid,ibin)= aer(ibiog4_c_a,jtotal,ibin)
aer(ibiog1_o_a,jsolid,ibin)= aer(ibiog1_o_a,jtotal,ibin)
aer(ibiog2_o_a,jsolid,ibin)= aer(ibiog2_o_a,jtotal,ibin)
aer(ibiog3_o_a,jsolid,ibin)= aer(ibiog3_o_a,jtotal,ibin)
aer(ibiog4_o_a,jsolid,ibin)= aer(ibiog4_o_a,jtotal,ibin)
aer(iasoaX_a,jsolid,ibin)= aer(iasoaX_a,jtotal,ibin)
aer(iasoa1_a,jsolid,ibin)= aer(iasoa1_a,jtotal,ibin)
aer(iasoa2_a,jsolid,ibin)= aer(iasoa2_a,jtotal,ibin)
aer(iasoa3_a,jsolid,ibin)= aer(iasoa3_a,jtotal,ibin)
aer(iasoa4_a,jsolid,ibin)= aer(iasoa4_a,jtotal,ibin)
aer(ibsoaX_a,jsolid,ibin)= aer(ibsoaX_a,jtotal,ibin)
aer(ibsoa1_a,jsolid,ibin)= aer(ibsoa1_a,jtotal,ibin)
aer(ibsoa2_a,jsolid,ibin)= aer(ibsoa2_a,jtotal,ibin)
aer(ibsoa3_a,jsolid,ibin)= aer(ibsoa3_a,jtotal,ibin)
aer(ibsoa4_a,jsolid,ibin)= aer(ibsoa4_a,jtotal,ibin)
! liquid-phase
aer(iso4_a,jliquid,ibin) = aer(iso4_a,jtotal,ibin) - &
aer(iso4_a,jsolid,ibin)
aer(iso4_a,jliquid,ibin) = max(0.D0, aer(iso4_a,jliquid,ibin))
aer(ino3_a,jliquid,ibin) = aer(ino3_a,jtotal,ibin)
aer(icl_a,jliquid,ibin) = aer(icl_a,jtotal,ibin)
aer(inh4_a,jliquid,ibin) = aer(inh4_a,jtotal,ibin)
aer(ioc_a,jliquid,ibin) = 0.0
aer(imsa_a,jliquid,ibin) = aer(imsa_a,jtotal,ibin)
aer(ico3_a,jliquid,ibin) = 0.0
aer(ina_a,jliquid,ibin) = aer(ina_a,jtotal,ibin)
aer(ica_a,jliquid,ibin) = aer(ica_a,jtotal,ibin) - &
aer(ica_a,jsolid,ibin)
aer(ica_a,jliquid,ibin) = max(0.D0, aer(ica_a,jliquid,ibin))
aer(ibc_a,jliquid,ibin) = 0.0
aer(ioin_a,jliquid,ibin) = 0.0
aer(ipcg1_b_c_a,jliquid,ibin)= 0.0
aer(ipcg2_b_c_a,jliquid,ibin)= 0.0
aer(ipcg3_b_c_a,jliquid,ibin)= 0.0
aer(ipcg4_b_c_a,jliquid,ibin)= 0.0
aer(ipcg5_b_c_a,jliquid,ibin)= 0.0
aer(ipcg6_b_c_a,jliquid,ibin)= 0.0
aer(ipcg7_b_c_a,jliquid,ibin)= 0.0
aer(ipcg8_b_c_a,jliquid,ibin)= 0.0
aer(ipcg9_b_c_a,jliquid,ibin)= 0.0
aer(ipcg1_b_o_a,jliquid,ibin)= 0.0
aer(ipcg2_b_o_a,jliquid,ibin)= 0.0
aer(ipcg3_b_o_a,jliquid,ibin)= 0.0
aer(ipcg4_b_o_a,jliquid,ibin)= 0.0
aer(ipcg5_b_o_a,jliquid,ibin)= 0.0
aer(ipcg6_b_o_a,jliquid,ibin)= 0.0
aer(ipcg7_b_o_a,jliquid,ibin)= 0.0
aer(ipcg8_b_o_a,jliquid,ibin)= 0.0
aer(ipcg9_b_o_a,jliquid,ibin)= 0.0
aer(iopcg1_b_c_a,jliquid,ibin)= 0.0
aer(iopcg2_b_c_a,jliquid,ibin)= 0.0
aer(iopcg3_b_c_a,jliquid,ibin)= 0.0
aer(iopcg4_b_c_a,jliquid,ibin)= 0.0
aer(iopcg5_b_c_a,jliquid,ibin)= 0.0
aer(iopcg6_b_c_a,jliquid,ibin)= 0.0
aer(iopcg7_b_c_a,jliquid,ibin)= 0.0
aer(iopcg8_b_c_a,jliquid,ibin)= 0.0
aer(iopcg1_b_o_a,jliquid,ibin)= 0.0
aer(iopcg2_b_o_a,jliquid,ibin)= 0.0
aer(iopcg3_b_o_a,jliquid,ibin)= 0.0
aer(iopcg4_b_o_a,jliquid,ibin)= 0.0
aer(iopcg5_b_o_a,jliquid,ibin)= 0.0
aer(iopcg6_b_o_a,jliquid,ibin)= 0.0
aer(iopcg7_b_o_a,jliquid,ibin)= 0.0
aer(iopcg8_b_o_a,jliquid,ibin)= 0.0
aer(ipcg1_f_c_a,jliquid,ibin)= 0.0
aer(ipcg2_f_c_a,jliquid,ibin)= 0.0
aer(ipcg3_f_c_a,jliquid,ibin)= 0.0
aer(ipcg4_f_c_a,jliquid,ibin)= 0.0
aer(ipcg5_f_c_a,jliquid,ibin)= 0.0
aer(ipcg6_f_c_a,jliquid,ibin)= 0.0
aer(ipcg7_f_c_a,jliquid,ibin)= 0.0
aer(ipcg8_f_c_a,jliquid,ibin)= 0.0
aer(ipcg9_f_c_a,jliquid,ibin)= 0.0
aer(ipcg1_f_o_a,jliquid,ibin)= 0.0
aer(ipcg2_f_o_a,jliquid,ibin)= 0.0
aer(ipcg3_f_o_a,jliquid,ibin)= 0.0
aer(ipcg4_f_o_a,jliquid,ibin)= 0.0
aer(ipcg5_f_o_a,jliquid,ibin)= 0.0
aer(ipcg6_f_o_a,jliquid,ibin)= 0.0
aer(ipcg7_f_o_a,jliquid,ibin)= 0.0
aer(ipcg8_f_o_a,jliquid,ibin)= 0.0
aer(ipcg9_f_o_a,jliquid,ibin)= 0.0
aer(iopcg1_f_c_a,jliquid,ibin)= 0.0
aer(iopcg2_f_c_a,jliquid,ibin)= 0.0
aer(iopcg3_f_c_a,jliquid,ibin)= 0.0
aer(iopcg4_f_c_a,jliquid,ibin)= 0.0
aer(iopcg5_f_c_a,jliquid,ibin)= 0.0
aer(iopcg6_f_c_a,jliquid,ibin)= 0.0
aer(iopcg7_f_c_a,jliquid,ibin)= 0.0
aer(iopcg8_f_c_a,jliquid,ibin)= 0.0
aer(iopcg1_f_o_a,jliquid,ibin)= 0.0
aer(iopcg2_f_o_a,jliquid,ibin)= 0.0
aer(iopcg3_f_o_a,jliquid,ibin)= 0.0
aer(iopcg4_f_o_a,jliquid,ibin)= 0.0
aer(iopcg5_f_o_a,jliquid,ibin)= 0.0
aer(iopcg6_f_o_a,jliquid,ibin)= 0.0
aer(iopcg7_f_o_a,jliquid,ibin)= 0.0
aer(iopcg8_f_o_a,jliquid,ibin)= 0.0
aer(ismpa_a,jliquid,ibin)= 0.0
aer(ismpbb_a,jliquid,ibin)= 0.0
aer(iglysoa_r1_a,jliquid,ibin)= 0.0
aer(iglysoa_r2_a,jliquid,ibin)= 0.0
aer(iglysoa_sfc_a,jliquid,ibin)= 0.0
aer(iglysoa_nh4_a,jliquid,ibin)= 0.0
aer(iglysoa_oh_a,jliquid,ibin)= 0.0
aer(iant1_c_a,jliquid,ibin)= 0.0
aer(iant2_c_a,jliquid,ibin)= 0.0
aer(iant3_c_a,jliquid,ibin)= 0.0
aer(iant4_c_a,jliquid,ibin)= 0.0
aer(iant1_o_a,jliquid,ibin)= 0.0
aer(iant2_o_a,jliquid,ibin)= 0.0
aer(iant3_o_a,jliquid,ibin)= 0.0
aer(iant4_o_a,jliquid,ibin)= 0.0
aer(ibiog1_c_a,jliquid,ibin)= 0.0
aer(ibiog2_c_a,jliquid,ibin)= 0.0
aer(ibiog3_c_a,jliquid,ibin)= 0.0
aer(ibiog4_c_a,jliquid,ibin)= 0.0
aer(ibiog1_o_a,jliquid,ibin)= 0.0
aer(ibiog2_o_a,jliquid,ibin)= 0.0
aer(ibiog3_o_a,jliquid,ibin)= 0.0
aer(ibiog4_o_a,jliquid,ibin)= 0.0
aer(iasoaX_a,jliquid,ibin)= 0.0
aer(iasoa1_a,jliquid,ibin)= 0.0
aer(iasoa2_a,jliquid,ibin)= 0.0
aer(iasoa3_a,jliquid,ibin)= 0.0
aer(iasoa4_a,jliquid,ibin)= 0.0
aer(ibsoaX_a,jliquid,ibin)= 0.0
aer(ibsoa1_a,jliquid,ibin)= 0.0
aer(ibsoa2_a,jliquid,ibin)= 0.0
aer(ibsoa3_a,jliquid,ibin)= 0.0
aer(ibsoa4_a,jliquid,ibin)= 0.0
return
end subroutine adjust_liquid_aerosol
! end of mesa package
!=======================================================================
!***********************************************************************
! ASTEM: Adaptive Step Time-Split Euler Method
!
! author: Rahul A. Zaveri
! update: jan 2007
!-----------------------------------------------------------------------
subroutine ASTEM(dtchem,vbs_nbin)
USE module_mosaic_gly, only : glysoa_complex, glysoa_simple
! implicit none
! include 'chemistry.com'
! include 'mosaic.h'
! subr arguments
real(kind=8) dtchem
! local variables
integer ibin
real(kind=8) dumdum
integer vbs_nbin(1)
integer start_svoc, Nsoa
! logical first
! save first
! data first/.true./
integer, save :: iclm_debug, jclm_debug, kclm_debug, ncnt_debug
data iclm_debug /25/
data jclm_debug /1/
data kclm_debug /9/
data ncnt_debug /2/
if(iclm_aer .eq. iclm_debug .and. &
jclm_aer .eq. jclm_debug .and. &
kclm_aer .eq. kclm_debug .and. &
ncorecnt_aer .eq. ncnt_debug)then
dumdum = 0.0
endif
! update ASTEM call counter
nASTEM_call = nASTEM_call + 1
! reset input print flag
iprint_input = mYES
! compute aerosol phase state before starting integration
do ibin = 1, nbin_a
if(jaerosolstate(ibin) .ne. no_aerosol)then
call aerosol_phase_state(ibin)
if (istat_mosaic_fe1 .lt. 0) return
call calc_dry_n_wet_aerosol_props(ibin)
endif
! endif ! added by Manish Shrivastav 12/7/09
enddo
! if(first)then
! first=.false.
! call print_aer(0) ! BOX
! endif
! compute new gas-aerosol mass transfer coefficients
call aerosolmtc(vbs_nbin)
if (istat_mosaic_fe1 .lt. 0) return
! condense h2so4, msa, and nh3 only
call ASTEM_non_volatiles(dtchem) ! analytical solution
if (istat_mosaic_fe1 .lt. 0) return
! DL - 20/11/2012 - recalculate the mass balance to take account of
! NO3- and Cl- changes from N2O5 het reactions
call overall_massbal_in ! save input mass over all bins
! condense inorganic semi-volatile gases hno3, hcl, nh3, and co2
call ASTEM_semi_volatiles(dtchem) ! semi-implicit + explicit euler
if (istat_mosaic_fe1 .lt. 0) return
if (glysoa_param == glysoa_param_simple) call glysoa_simple(dtchem)
if (glysoa_param == glysoa_param_complex) call glysoa_complex(dtchem)
! condense secondary organic gases (8 sorgam species)
if (istat_mosaic_fe1 .lt. 0) return
start_svoc = 1
Nsoa = 0
! simple version, Hodzic and Jimenez, GMD, 2011
if (vbs_nbin(1).eq.0) then
start_svoc = ismpa_g
! 4-bin version, Knote et al., ACPD, 2014
else if (vbs_nbin(1).eq.4) then
start_svoc = iasoaX_g
! 9-bin version
else
start_svoc = ipcg1_b_c_g
! Nsoa = ngas_volatile-start_svoc
end if
Nsoa = ngas_ioa + ngas_soa - start_svoc + 1
call equilibrium(start_svoc,Nsoa)
!!BSINGH (PNNL)- Following 3 lines are commented due to array out of bound error in equilibrium_smp
! !if (vbs_nbin.eq.0) then
! !call equilibrium_smp
! !else
! call equilibrium
! !Bend if
!
! template for error status checking
! if (iprint_mosaic_fe1 .gt. 0) then
! write(6,*)'error in computing dtmax for soa'
! write(6,*)'mosaic fatal error in astem_soa_dtmax'
! stop
! endif
! istat_mosaic_fe1 = -1800
! return
! endif
return
end subroutine astem
subroutine print_mosaic_stats( iflag1 )
! implicit none
! include 'mosaic.h'
! subr arguments
integer iflag1
! local variables
integer ibin
real(kind=8) p_mesa_fails, p_astem_fails, dumcnt
if (iflag1 .le. 0) goto 2000
! print mesa and astem statistics
dumcnt = float(max(nmesa_call,1))
p_mesa_fails = 100.*float(nmesa_fail)/dumcnt
niter_mesa_avg = float(niter_mesa)/dumcnt
dumcnt = float(max(nastem_call,1))
p_astem_fails = 100.*float(nastem_fail)/dumcnt
nsteps_astem_avg = float(nsteps_astem)/dumcnt
if (iprint_mosaic_perform_stats .gt. 0) then
write(6,*)'------------------------------------------------'
write(6,*)' astem performance statistics'
write(6,*)'number of astem calls=', nastem_call
write(6,*)'percent astem fails =', nastem_fail
write(6,*)'avg steps per dtchem =', nsteps_astem_avg
write(6,*)'max steps per dtchem =', nsteps_astem_max
write(6,*)' '
write(6,*)' mesa performance statistics'
write(6,*)'number of mesa calls =', nmesa_call
write(6,*)'total mesa fails =', nmesa_fail
write(6,*)'percent mesa fails =', p_mesa_fails
write(6,*)'avg iterations/call =', niter_mesa_avg
write(6,*)'max iterations/call =', niter_mesa_max
write(6,*)' '
endif
if (iprint_mosaic_fe1 .gt. 0) then
if ((nfe1_mosaic_cur .gt. 0) .or. &
(iprint_mosaic_fe1 .ge. 100)) then
write(6,*)'-----------------------------------------'
write(6,*)'mosaic failure count (current step) =', &
nfe1_mosaic_cur
write(6,*)'mosaic failure count (all step tot) =', &
nfe1_mosaic_tot
write(6,*)' '
endif
endif
if (nfe1_mosaic_tot .gt. 9999) then
write(6,'(a)') "MOSAIC FAILURE COUNT > 9999 -- SOMETHING IS SERIOUSLY WRONG !!!"
call peg_error_fatal( lunerr_aer, &
"---> MOSAIC FAILURE COUNT > 9999 -- SOMETHING IS SERIOUSLY WRONG !!!" )
endif
2000 continue
! reset counters
nfe1_mosaic_cur = 0
nmesa_call = 0
nmesa_fail = 0
niter_mesa = 0.0
niter_mesa_max = 0
nastem_call = 0
nastem_fail = 0
nsteps_astem = 0.0
nsteps_astem_max = 0.0
return
end subroutine print_mosaic_stats
! Calculates the equilibrium gas-particle partitioning for SOA species
subroutine equilibrium(start_ind,N)
! subroutine equilibrium
! This routine was implemented by Manish Shrivastava on 12/24/2009 to do gas-particle partitioning of SOA assuming thermodynamic equilibrium.
! Modified by Alma Hodzic 12/2012 to implement the partitioning for mozart-mosaic species (based on the initial code implemented by Manish Shrivastava and originated from CAMx)
! This would give MOSAIC cpabilities of running both dynamic and equilibrium gas-particle partitioning
! Calls the subroutine soap. Subroutine soap calls subroutine spfcn
! use module_data_mosaic_main
! use module_data_mosaic_aero
implicit none
real(kind=8), parameter :: tinys=1.0d-15
integer, intent(in) :: start_ind, N
! integer, parameter :: N=ngas_soa !Total number of soa species
integer, parameter :: itermax=2000
integer idxfresh(N),idxaged(N) !counter for fresh and aged soa species
real(kind=8) :: dq,frqfresh(nbin_a),frqaged(nbin_a)
real(kind=8) :: frqtotfresh,frqtotaged,frt
real(kind=8) :: xsumfresh(nbin_a),xsumaged(nbin_a)
real(kind=8) :: mnkfresh,mxkfresh,mnkaged,mxkaged
real betak
! integer :: flagsoap(N) ! flagsoap determines if the species 'i' is fresh (flagsoap(i)=2) or aged(flagsoap(i)=1
real(kind=8) :: Csatfresh(N), Ctotfresh(N)
real(kind=8) :: Cgasfresh(N),Caerfresh(N) ! Csat: Saturation conc., Ctot: Total organic mass
! in gas+aerosol phase, Cgas:gas phase, Caer: Particle
real(kind=8) :: Csataged(N), Ctotaged(N)
real(kind=8) :: Cgasaged(N),Caeraged(N)
integer nsolfresh,nsolaged,ntrack,icontfresh,icontaged ! counters corresponding to fresh and aged species for mapping
real(kind=8) :: cpxfresh,cpxaged !Moles of pre-existing fresh and aged particle phase organic mass
integer ibin,iter ! Bin nos.
! local variables
integer iv, jp
real(kind=8) :: dum, sum_dum, sum_soa, small_oc
! real, parameter :: tolmin = 1.E-12^M
! real, parameter :: conmin = 1.E-20^M
! real totOA,minitw !total OA in particle phase^M
real(kind=8) :: cpx !pre-existing OA umol/m3^M
real(kind=8) :: Ctot(N),Caer(N),Cgas(N),Csat(N)
real(kind=8) :: Paer(ngas_volatile)
integer :: i
! LOGICAL check
jp=jtotal
iter=0
cpxaged=0.0
cpxfresh=0.0 ! Assume no pres-existing OA forms a solution
nsolfresh=0
nsolaged=0
icontfresh=0
icontaged=0
dq=0.0
! Paer holds the organic aerosol values in each volatility bin (sum of all size bins)
do iv=1,ngas_volatile
Paer(iv)=0.0
enddo
! Initialize flagsoap
do i=1,N
flagsoap(i)=1
Ctot(i) = 0.0
Ctotaged(i) = 0.0
Ctotfresh(i) = 0.0
Caer(i) = 0.0
Caeraged(i) = 0.0
Caerfresh(i) = 0.0
Cgas(i) = 0.0
Cgasaged(i) = 0.0
Cgasfresh(i) = 0.0
Csat(i) = 0.0
Csataged(i) = 0.0
Csatfresh(i) = 0.0
enddo
! Calculate Ctot and Paer
! do iv = ipcg1_b_c_g, ngas_volatile
! do iv = start_ind, ngas_ioa + ngas_soa
do iv = start_ind, (start_ind + N - 1)
total_species(iv) = gas(iv)
do ibin = 1, nbin_a
total_species(iv) = total_species(iv) + aer(iv,jtotal,ibin)
Paer(iv)=Paer(iv)+aer(iv,jtotal,ibin)
enddo
enddo
! Calculate pre-existing moles of OA (cpx) as sum of all size bins
do ibin=1,nbin_a
cpxaged= cpxaged+aer(ioc_a,jp,ibin)
enddo
! Maps arrays starting from start_ind or ipcg1_b_c_g on to corresponding arrays starting from 1 for just soa species
do i=1,N
Ctot(i)=total_species(start_ind+i-1)
Caer(i)=Paer(start_ind+i-1)
Csat(i)=sat_soa(start_ind+i-1)
Cgas(i)=gas(start_ind+i-1)
enddo
! Initialize mapping array indices
do i=1,N
idxfresh(i)=0
idxaged(i)=0
enddo
! Seperate the fresh and aged species and treat them as 2 different solutions. Note this approach differes from PMCAMx
! In PMCAMx if flagsoap(i) was set to zero those species were not considered solution forming.
do i=1,N
flagsoap(i)=1 ! Biomass burning(carbon and oxygen species) +traditional soa species
enddo
! do i=1,9
! flagsoap(i)=1 ! Biomass burning(carbon and oxygen species) +traditional soa species
! enddo
! do i=10,18
! flagsoap(i)=1 ! Biomass burning(carbon and oxygen species) +traditional soa species
! enddo
! do i=19,26
! flagsoap(i)=1 ! Biomass burning(carbon and oxygen species) +traditional soa species
! enddo
! do i=27,34
! flagsoap(i)=1 ! Biomass burning(carbon and oxygen species) +traditional soa species
! enddo
! do i=35,43
! flagsoap(i)=1 ! Biomass burning(carbon and oxygen species) +traditional soa species
! enddo
! do i=44,52
! flagsoap(i)=1 ! Biomass burning(carbon and oxygen species) +traditional soa species
! enddo
! do i=53,60
! flagsoap(i)=1 ! Biomass burning(carbon and oxygen species) +traditional soa species
! enddo
! do i=61,68
! flagsoap(i)=1 ! Biomass burning(carbon and oxygen species) +traditional soa species
! enddo
! do i=69,84
! flagsoap(i)=1 !Oxidized fossil oxygen
! enddo
do i=1,N
if (flagsoap(i).eq.2) then ! fresh primary species forming 1 solution
icontfresh=icontfresh+1 ! count the number of fresh species
idxfresh(icontfresh) = i !Map the species
Csatfresh(icontfresh)=Csat(i)
Ctotfresh(icontfresh)=Ctot(i)
Caerfresh(icontfresh)=Caer(i)
Cgasfresh(icontfresh)=Cgas(i)
nsolfresh=nsolfresh+1
elseif (flagsoap(i).eq.1) then ! Aged SOA species forming another solution
icontaged=icontaged+1
idxaged(icontaged) = i
Csataged(icontaged)=Csat(i)
Ctotaged(icontaged)=Ctot(i)
Caeraged(icontaged)=Caer(i)
Cgasaged(icontaged)=Cgas(i)
nsolaged=nsolaged+1
endif
enddo
! Caluclate the initial equilibrium partitioning by the bisection method (CMU PMCAMx approach)
! If all fresh abd aged species form a solution
! call soap(ngas_soa,Ctot,Csat,Caer,Cgas,cpx)
! if fresh and aged species form seperate solutions
if (nsolfresh.gt.0) call soap(nsolfresh,Ctotfresh, &
Csatfresh,Caerfresh,Cgasfresh,cpxfresh)
if (nsolaged.gt.0) call soap(nsolaged,Ctotaged, &
Csataged,Caeraged,Cgasaged,cpxaged)
! Map the fresh and aged species back into original arrays
! Now assign the equilibrium gas-particle partitioning arrays
ntrack=0
do i=1,N ! Map the fresh and aged species back into array from 1 to N after calculating equilibrium
if (idxfresh(i).gt.0) then
Caer(idxfresh(i))= Caerfresh(i)
Cgas(idxfresh(i))= Cgasfresh(i)
Ctot(idxfresh(i))= Ctotfresh(i)
ntrack=ntrack+1
endif
if (idxaged(i).gt.0) then
Caer(idxaged(i))= Caeraged(i)
Cgas(idxaged(i))= Cgasaged(i)
Ctot(idxaged(i))= Ctotaged(i)
ntrack=ntrack+1
endif
enddo
! Check for total number of species
if (ntrack.ne.N) then
call wrf_error_fatal('Error in mapping fresh and primary species arrays')
endif
! From here on distribute the organic aerosol in size bins following Koo et al. 2003 " Integrated approaches to modeling
! the organic and inorganic atmospheric aerosol components"
! The original code from PMCAMx was modified to include 2 solutions for fresh and primary species
! by Manish Shrivastava on 01/11/2010
! Calculate total organic aerosol OA(in nmoles/m3) in each bin for either of fresh and aged aerosols
do ibin=1,nbin_a
xsumfresh(ibin)=0.0
xsumaged(ibin)=0.0
xsumaged(ibin)= xsumaged(ibin)+aer(ioc_a,jp,ibin)!Caluclate pre-existing primary in each bin for aged aerosol
! do iv = start_ind, ngas_ioa + ngas_soa
do iv = start_ind, (start_ind + N - 1)
if (flagsoap(iv-start_ind+1).eq.2) then
xsumfresh(ibin)= xsumfresh(ibin)+aer(iv,jtotal,ibin)
elseif (flagsoap(iv-start_ind+1).eq.1) then
xsumaged(ibin)= xsumaged(ibin)+aer(iv,jtotal,ibin)
elseif (flagsoap(iv-start_ind+1).eq.0) then
print *, 'Error in mapping flagsoap to start_ind'
endif
enddo
! do iv = ipcg1_b_c_g, ngas_volatile
! if (flagsoap(iv-ipcg1_b_c_g+1).eq.2) then
! xsumfresh(ibin)= xsumfresh(ibin)+aer(iv,jtotal,ibin)
! elseif (flagsoap(iv-ipcg1_b_c_g+1).eq.1) then
! xsumaged(ibin)= xsumaged(ibin)+aer(iv,jtotal,ibin)
! elseif (flagsoap(iv-ipcg1_b_c_g+1).eq.0) then
! print *, 'Error in mapping flagsoap to ipcg1_b_c_g'
! endif
! enddo
! Give a small non-zero value to xsum if it is zero in the section
if (xsumfresh(ibin).eq.0.0) xsumfresh(ibin)=tinys
if (xsumaged(ibin).eq.0.0) xsumaged(ibin)=tinys
enddo
! Calculate dq as (gas concentration) G(t)-G(t+h):
! Caluclate driving force at previous time step (Cgas,i-XiCsati) for both fresh and aged solutions
! do iv = start_ind, ngas_ioa + ngas_soa
do iv = start_ind, (start_ind + N - 1)
if (Ctot(iv-start_ind+1).lt.1d-10) goto 120 ! If a given species concentration is too low skip
dq=gas(iv)-Cgas(iv-start_ind+1) !Since both fresh and aged species have been remapped to an array going from 1 to N
! do iv = ipcg1_b_c_g, ngas_volatile
! if (Ctot(iv-ipcg1_b_c_g+1).lt.1d-10) goto 120 ! If a given species concentration is too low skip
! dq=gas(iv)-Cgas(iv-ipcg1_b_c_g+1) !Since both fresh and aged species have been remapped to an array going from 1 to N
frqtotfresh=0.0d0
frqtotaged=0.0d0
mnkfresh=0.0d0
mnkaged=0.0d0
mxkfresh=0.0d0
mxkaged=0.0d0
do ibin=1,nbin_a
! fraceq(iv,ibin) is calculated as the rate of mass transfer
! The weighting fractions frqfresh(ibin) amd frqaged(ibin) are caluclated assuming mole fractions from previous time step
! This assumtion could be relaxed by iterativetely solving this equation
if (flagsoap(iv-start_ind+1).eq.2) then
frqfresh(ibin)= kg(iv,ibin)*(gas(iv) & ! replaced fraceq(iv,ibin) by kg(iv,ibin) on 01/19/10
-(aer(iv,jtotal,ibin))/xsumfresh(ibin) &
*Csat(iv-start_ind+1))
endif
if (flagsoap(iv-start_ind+1).eq.1) then
frqaged(ibin)= kg(iv,ibin)*(gas(iv) & ! replaced fraceq(iv,ibin) by kg(iv,ibin) on 01/19/10
-(aer(iv,jtotal,ibin))/xsumaged(ibin) &
*Csat(iv-start_ind+1))
endif
! if (flagsoap(iv-ipcg1_b_c_g+1).eq.2) then
! frqfresh(ibin)= kg(iv,ibin)*(gas(iv) & ! replaced fraceq(iv,ibin) by kg(iv,ibin) on 01/19/10
! -(aer(iv,jtotal,ibin))/xsumfresh(ibin) &
! *Csat(iv-ipcg1_b_c_g+1))
! endif
!
! if (flagsoap(iv-ipcg1_b_c_g+1).eq.1) then
! frqaged(ibin)= kg(iv,ibin)*(gas(iv) & ! replaced fraceq(iv,ibin) by kg(iv,ibin) on 01/19/10
! -(aer(iv,jtotal,ibin))/xsumaged(ibin) &
! *Csat(iv-ipcg1_b_c_g+1))
! endif
mnkfresh=min(mnkfresh,frqfresh(ibin))
mnkaged=min(mnkaged,frqaged(ibin))
mxkfresh=max(mxkfresh,frqfresh(ibin))
mxkaged=max(mxkaged,frqaged(ibin))
enddo ! for ibin
! Repeat code from this point on for aged aerosol species
if (flagsoap(iv-start_ind+1).eq.2) then
! if (flagsoap(iv-ipcg1_b_c_g+1).eq.2) then
! Condensation is favored in the next time step in this bin
if(dq.gt.0.and.mnkfresh.lt.0.and.mxkfresh.gt.0) then
do ibin=1,nbin_a
frqfresh(ibin)=max(frqfresh(ibin)-mnkfresh,0.0d0)
enddo
! evaporation is favored in the next time step in this bin
elseif(dq.lt.0.and.mxkfresh.gt.0.and.mnkfresh.lt.0) then
do ibin=1,nbin_a
frqfresh(ibin)=min(frqfresh(ibin)-mxkfresh,0.0d0)
enddo
endif
do ibin=1,nbin_a
frqtotfresh=frqtotfresh+frqfresh(ibin)
enddo
! Re-normalize frqfresh(ibin)
! Additional code to check for frqtotfresh and frqtotaged
! Added by Manish Shrivastava on 02/19/2010
do ibin=1,nbin_a
frqfresh(ibin)=frqfresh(ibin)/frqtotfresh
enddo
elseif(flagsoap(iv-start_ind+1).eq.1) then
! elseif(flagsoap(iv-ipcg1_b_c_g+1).eq.1) then
if(dq.gt.0.and.mnkaged.lt.0.and.mxkaged.gt.0) then
do ibin=1,nbin_a
frqaged(ibin)=max(frqaged(ibin)-mnkaged,0.0d0)
enddo
elseif(dq.lt.0.and.mxkaged.gt.0.and.mnkaged.lt.0) then
do ibin=1,nbin_a
frqaged(ibin)=min(frqaged(ibin)-mxkaged,0.0d0)
enddo
endif
do ibin=1,nbin_a
frqtotaged=frqtotaged+frqaged(ibin)
enddo
do ibin=1,nbin_a
frqaged(ibin)=frqaged(ibin)/frqtotaged
enddo
endif ! for flagsoap
! Condense all condensing species
if(dq.gt.0.0d0) then
! Map the species back into the original MOSAIC arrays
do ibin=1,nbin_a
if (flagsoap(iv-start_ind+1).eq.2) then
aer(iv,jtotal,ibin)= aer(iv,jtotal,ibin)+dq*frqfresh(ibin)
endif
if (flagsoap(iv-start_ind+1).eq.1) then
aer(iv,jtotal,ibin)= aer(iv,jtotal,ibin)+dq*frqaged(ibin)
endif
enddo
! Set the gas phase species to equilibrium value
gas(iv)=Cgas(iv-start_ind+1)
! do ibin=1,nbin_a
! if (flagsoap(iv-ipcg1_b_c_g+1).eq.2) then
! aer(iv,jtotal,ibin)= aer(iv,jtotal,ibin)+dq*frqfresh(ibin)
! endif
! if (flagsoap(iv-ipcg1_b_c_g+1).eq.1) then
! aer(iv,jtotal,ibin)= aer(iv,jtotal,ibin)+dq*frqaged(ibin)
! endif
! enddo
!! Set the gas phase species to equilibrium value
! gas(iv)=Cgas(iv-ipcg1_b_c_g+1)
! Evaporate all evaporating species
elseif(dq.lt.0.0d0) then
iter=0
100 frt=1.0d0
do ibin=1,nbin_a
if (flagsoap(iv-start_ind+1).eq.2) then
! if (flagsoap(iv-ipcg1_b_c_g+1).eq.2) then
! Cannot evaporate more than whats in the bin ie ratio (aer(iv,jtotal,ibin)/dq*frqfresh(ibin)) should be less than equal to 1
if(frqfresh(ibin).gt.0.0d0) &
frt=MAX(MIN(aer(iv,jtotal,ibin)/abs(-dq*frqfresh(ibin)),frt),0.0d0)
! elseif(flagsoap(iv-ipcg1_b_c_g+1).eq.1) then
elseif(flagsoap(iv-start_ind+1).eq.1) then
if(frqaged(ibin).gt.0.0d0) &
frt=MAX(MIN(aer(iv,jtotal,ibin)/abs(-dq*frqaged(ibin)),frt),0.0d0)
endif ! for flagsoap
enddo ! for ibin
frqtotfresh=0.0d0
frqtotaged=0.0d0
do ibin=1,nbin_a
if (flagsoap(iv-start_ind+1).eq.2) then
! if (flagsoap(iv-ipcg1_b_c_g+1).eq.2) then
aer(iv,jtotal,ibin)= &
! Since dq is negative this is evaporating aerosols
MAX(aer(iv,jtotal,ibin)+frt*dq*frqfresh(ibin),0.0d0)
if(aer(iv,jtotal,ibin).lt.tinys) frqfresh(ibin)=0.0d0
frqtotfresh=frqtotfresh+frqfresh(ibin)
! elseif (flagsoap(iv-ipcg1_b_c_g+1).eq.1) then
elseif (flagsoap(iv-start_ind+1).eq.1) then
aer(iv,jtotal,ibin)= &
MAX(aer(iv,jtotal,ibin)+frt*dq*frqaged(ibin),0.0d0)
if(aer(iv,jtotal,ibin).lt.tinys) frqaged(ibin)=0.0d0
frqtotaged=frqtotaged+frqaged(ibin)
endif ! for flagsoap
enddo ! for ibin
! Check if we should evaporate more
dq=(1.0d0-frt)*dq
! if (flagsoap(iv-ipcg1_b_c_g+1).eq.2) then
if (flagsoap(iv-start_ind+1).eq.2) then
if(dq.lt.-1.d-8) then ! check if d-8 is better
if(frqtotfresh.gt.tinys) then ! we have sections which are not empty
if(iter.le.itermax) then ! check infinite loop
iter = iter + 1
do ibin = 1,nbin_a
frqfresh(ibin) = frqfresh(ibin) / frqtotfresh
enddo ! for ibin
goto 100
endif ! for iter
endif ! frqtotfresh.gt.tinys
endif ! dq.lt.-1.d-7
! elseif (flagsoap(iv-ipcg1_b_c_g+1).eq.1) then
elseif (flagsoap(iv-start_ind+1).eq.1) then
if(dq.lt.-1.d-8) then
if(frqtotaged.gt.tinys) then ! we have sections which are not empty
if(iter.le.itermax) then ! check infinite loop
iter = iter + 1
do ibin = 1,nbin_a
frqaged(ibin) = frqaged(ibin) / frqtotaged
enddo
goto 100
endif
endif
endif
! we need to evaporate more to achieve equilibrium
! but we completely evaporated the species in all sections
! or exceeded itermax
endif ! for flagsoap
! now set the gas species concentration conservatively
! gas(iv)=Ctot(iv-ipcg1_b_c_g+1)
gas(iv)=Ctot(iv-start_ind+1)
do ibin=1,nbin_a
gas(iv)=gas(iv)-aer(iv,jtotal,ibin)
enddo
endif ! if dq.gt.0
120 continue
enddo ! for iv=start_ind
end subroutine equilibrium
!---------------------------------
! Calculates the equilibrium gas-particle partitioning for SOA species when MOZART_MOSAIC_4BIN_KPP is used
! This routine was modified by Alma Hodzic based on the initial code implemented by Manish Shrivastava and originated from CAMx
!++ alma - removed the subroutine equilibrium_smp
! subroutine equilibrium_smp
!..
! end subroutine equilibrium_smp
!--
! This subroutine spfcn calculates the objective function fval to solve gas-particle partitioning of SOA
! Subroutine spfcn is called from within the subroutine soap
subroutine spfcn(N,Ctot,Csat,Ca,cpx,tom,fval)
! use module_data_mosaic_main
! use module_data_mosaic_aero
implicit none
real(kind=8):: Ctot(N),Csat(N),Ca(N),tom,fval,cpx
integer i,N
fval=0.0
do i=1, N
Ca(i)=Ctot(i)*tom/(tom+Csat(i)/1)! Replace the divisor 1 by Molecular Weights if the units for Csat(i) are ug/m3 or ng/m3
fval=fval+Ca(i)/1 ! The divisor is set to 1 as the species are in nmol/m3
enddo
fval=fval+cpx-tom
return
end subroutine spfcn
subroutine soap(N,Ctot,Csat,Ca,Cgas,cpx)
! SOAP calculates the gas-partitioning of SOA. Adapted from PMCAMx and uses the bisection approach.
! SOAP calls subroutine spfcn which calculates the objective function for solving gas-particle partitioning
! use module_data_mosaic_main
! use module_data_mosaic_aero
real(kind=8), parameter :: xtol = 5.0e-5
real(kind=8):: Ctot(N),Csat(N),cpx,Ca(N),Cgas(N)
real(kind=8):: xend,dx,xmid,fend,fmid,sun
integer i,N,znum
sun=0.0
do i=1,N
if (Csat(i).gt.0) then
sun=sun+Ctot(i)/Csat(i) !If a species does not exist its Csat is zero
else
endif
enddo
if(cpx.lt.1e-9.and.sun.le.1.0) then !if ctots for all species are less than corr. csats and cpre is negligible
do i=1,N
Cgas(i)=Ctot(i)
Ca(i)=0.0
enddo
goto 900
endif
xend=0.0
do i=1, N
xend=xend+Ctot(i)/1 ! Replace the divisor 1 by molecular weight if the units of Ctot(i) are in ng/m3 or ug/m3
enddo
xend=xend+cpx ! total number of moles
if (xend.gt.1e-10) then
call spfcn(N,Ctot,Csat,Ca,cpx,xend,fend) ! Calculates the objective function
else
! write (2,*) "Total no of moles less than 1e-10 bypassing soap"
goto 100
endif
if(abs(fend).le.xtol*xend) goto 99 ! Check for tolerance
if (fend.gt.0.0) then ! The objective function is supposed to be less than equal to zero
write (2,*) "Error in SOAP"
goto 50
endif
dx=xend-cpx
do znum=1,200
dx=0.5*dx
xmid=xend-dx ! Find the midpoint following the bisection approach
call spfcn (N,Ctot,Csat,Ca,cpx,xmid,fmid) ! Re-calculate the objective function
if(abs(fmid).le.xtol*xmid.or.dx.le.xtol*xmid) goto 100 ! converged
if (fmid.lt.0.0) xend=xmid
enddo
50 call wrf_message("Error in SOAP")
call wrf_error_fatal("Error: max number of iterations reached")
99 xmid=xend
100 continue
do i=1, N
Ca(i)=min(Ctot(i), Ca(i))
Cgas(i)=Ctot(i)-Ca(i)
enddo
900 continue
! write(2,*) xmid
return
end subroutine soap
!***********************************************************************
! part of ASTEM: integrates semi-volatile inorganic gases
!
! author: Rahul A. Zaveri
! update: jan 2007
!-----------------------------------------------------------------------
subroutine ASTEM_semi_volatiles(dtchem)
! implicit none
! include 'chemistry.com'
! include 'mosaic.h'
! subr arguments
real(kind=8) dtchem
! local variables
integer ibin, iv, jp
real(kind=8) dtmax, t_new, t_old, t_out, xt
real(kind=8) sum1, sum2, sum3, sum4, sum4a, sum4b, h_flux_s
! initialize time
t_old = 0.0
t_out = dtchem
! reset ASTEM time steps and MESA iterations counters to zero
isteps_ASTEM = 0
do ibin = 1, nbin_a
iter_MESA(ibin) = 0
enddo
!--------------------------------
! overall integration loop begins over dtchem seconds
10 isteps_ASTEM = isteps_ASTEM + 1
! compute new fluxes
phi_nh4no3_s = 0.0
phi_nh4cl_s = 0.0
ieqblm_ASTEM = mYES ! reset to default
do 501 ibin = 1, nbin_a
idry_case3a(ibin) = mNO ! reset to default
! default fluxes and other stuff
do iv = 1, ngas_ioa
sfc_a(iv) = gas(iv)
df_gas_s(iv,ibin) = 0.0
df_gas_l(iv,ibin) = 0.0
flux_s(iv,ibin) = 0.0
flux_l(iv,ibin) = 0.0
Heff(iv,ibin) = 0.0
volatile_s(iv,ibin) = 0.0
phi_volatile_s(iv,ibin) = 0.0
phi_volatile_l(iv,ibin) = 0.0
integrate(iv,jsolid,ibin) = mNO ! reset to default
integrate(iv,jliquid,ibin) = mNO ! reset to default
enddo
if(jaerosolstate(ibin) .eq. all_solid)then
jphase(ibin) = jsolid
call ASTEM_flux_dry(ibin)
elseif(jaerosolstate(ibin) .eq. all_liquid)then
jphase(ibin) = jliquid
call ASTEM_flux_wet(ibin)
elseif(jaerosolstate(ibin) .eq. mixed)then
if( electrolyte(jnh4no3,jsolid,ibin).gt. 0.0 .or. &
electrolyte(jnh4cl, jsolid,ibin).gt. 0.0 )then
call ASTEM_flux_mix(ibin) ! jphase(ibin) will be determined in this subr.
else
jphase(ibin) = jliquid
call ASTEM_flux_wet(ibin)
endif
endif
501 continue
if(ieqblm_ASTEM .eq. mYES)goto 30 ! all bins have reached eqblm, so quit.
!-------------------------
! calculate maximum possible internal time-step
11 call ASTEM_calculate_dtmax(dtchem, dtmax)
t_new = t_old + dtmax ! update time
if(t_new .gt. t_out)then ! check if the new time step is too large
dtmax = t_out - t_old
t_new = t_out*1.01
endif
!------------------------------------------
! do internal time-step (dtmax) integration
do 20 iv = 2, 4
sum1 = 0.0
sum2 = 0.0
sum3 = 0.0
sum4 = 0.0
sum4a= 0.0
sum4b= 0.0
do 21 ibin = 1, nbin_a
if(jaerosolstate(ibin) .eq. no_aerosol)goto 21
jp = jliquid
sum1 = sum1 + aer(iv,jp,ibin)/ &
(1. + dtmax*kg(iv,ibin)*Heff(iv,ibin)*integrate(iv,jp,ibin))
sum2 = sum2 + kg(iv,ibin)*integrate(iv,jp,ibin)/ &
(1. + dtmax*kg(iv,ibin)*Heff(iv,ibin)*integrate(iv,jp,ibin))
jp = jsolid
sum3 = sum3 + aer(iv,jp,ibin)
if(flux_s(iv,ibin) .gt. 0.)then
h_flux_s = dtmax*flux_s(iv,ibin)
sum4a = sum4a + h_flux_s
aer(iv,jp,ibin) = aer(iv,jp,ibin) + h_flux_s
elseif(flux_s(iv,ibin) .lt. 0.)then
h_flux_s = min(h_s_i_m(iv,ibin),dtmax)*flux_s(iv,ibin)
sum4b = sum4b + h_flux_s
aer(iv,jp,ibin) = aer(iv,jp,ibin) + h_flux_s
aer(iv,jp,ibin) = max(aer(iv,jp,ibin), 0.0D0)
endif
21 continue
sum4 = sum4a + sum4b
! first update gas concentration
gas(iv) = (total_species(iv) - (sum1 + sum3 + sum4) )/ &
(1. + dtmax*sum2)
gas(iv) = max(gas(iv), 0.0D0)
! if(gas(iv) .lt. 0.)write(6,*) gas(iv)
! now update aer concentration in the liquid phase
do 22 ibin = 1, nbin_a
if(integrate(iv,jliquid,ibin) .eq. mYES)then
aer(iv,jliquid,ibin) = &
(aer(iv,jliquid,ibin) + dtmax*kg(iv,ibin)*gas(iv))/ &
(1. + dtmax*kg(iv,ibin)*Heff(iv,ibin))
endif
22 continue
20 continue
!------------------------------------------
! sub-step integration done
!------------------------------------------
! now update aer(jtotal) and update internal phase equilibrium
! also do integration of species by mass balance if necessary
do 40 ibin = 1, nbin_a
if(jaerosolstate(ibin) .eq. no_aerosol)goto 40
if(jphase(ibin) .eq. jsolid)then
call form_electrolytes(jsolid,ibin,XT) ! degas excess nh3 (if present)
elseif(jphase(ibin) .eq. jliquid)then
call form_electrolytes(jliquid,ibin,XT) ! degas excess nh3 (if present)
elseif(jphase(ibin) .eq. jtotal)then
call form_electrolytes(jsolid,ibin,XT) ! degas excess nh3 (if present)
call form_electrolytes(jliquid,ibin,XT) ! degas excess nh3 (if present)
endif
!========================
! now update jtotal
do iv = 2, ngas_ioa
aer(iv,jtotal,ibin)=aer(iv,jsolid,ibin)+aer(iv,jliquid,ibin)
enddo
!========================
call form_electrolytes(jtotal,ibin,XT) ! for MDRH diagnosis
! update internal phase equilibrium
if(jhyst_leg(ibin) .eq. jhyst_lo)then
call ASTEM_update_phase_eqblm(ibin)
else
call do_full_deliquescence(ibin) ! simply do liquid <-- total
endif
40 continue
!------------------------------------------
! update time
t_old = t_new
if(isteps_astem .ge. nmax_astem)then
nastem_fail = nastem_fail + 1
write(6,*)'ASTEM internal steps exceeded', nmax_astem
if(iprint_input .eq. mYES)then
write(67,*)'ASTEM internal steps exceeded', nmax_astem
call print_input
iprint_input = mNO
endif
goto 30
elseif(t_new .lt. t_out)then
goto 10
endif
! check if end of dtchem reached
if(t_new .lt. 0.9999*t_out) goto 10
30 nsteps_astem = nsteps_astem + isteps_astem ! cumulative steps
nsteps_astem_max = max(nsteps_astem_max, isteps_astem) ! max steps in a dtchem time-step
!================================================
! end of overall integration loop over dtchem seconds
! call subs to calculate fluxes over mixed-phase particles to update H+ ions,
! which were wiped off during update_phase_eqblm
! do ibin = 1, nbin_a
!
! if(jaerosolstate(ibin) .eq. mixed)then
! if( electrolyte(jnh4no3,jsolid,ibin).gt. 0.0 .or. &
! electrolyte(jnh4cl, jsolid,ibin).gt. 0.0 )then
! call ASTEM_flux_mix(ibin) ! jphase(ibin) will be determined in this subr.
! else
! jphase(ibin) = jliquid
! call ASTEM_flux_wet(ibin)
! endif
! endif
!
! enddo
return
end subroutine ASTEM_semi_volatiles
!***********************************************************************
! part of ASTEM: computes max time step for gas-aerosol integration
!
! author: Rahul A. Zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine ASTEM_calculate_dtmax(dtchem, dtmax)
use module_data_mosaic_other, only: lunerr
! implicit none
! include 'mosaic.h'
! subr arguments
real(kind=8) dtchem, dtmax
! local variables
integer ibin, iv
real(kind=8) alpha, h_gas, h_sub_max, &
h_gas_i(ngas_ioa), h_gas_l, h_gas_s, &
sum_kg_phi, sumflux_s
h_sub_max = 100.0 ! sec raz update 4/30/2007
! gas-side
! solid-phase
! calculate h_gas_i and h_gas_l
h_gas_s = 2.e16
do 5 iv = 2, ngas_ioa
h_gas_i(iv) = 1.e16
sumflux_s = 0.0
do ibin = 1, nbin_a
if(flux_s(iv,ibin) .gt. 0.0)then
sumflux_s = sumflux_s + flux_s(iv,ibin)
endif
enddo
if(sumflux_s .gt. 0.0)then
h_gas_i(iv) = 0.1*gas(iv)/sumflux_s ! raz-30apr07
h_gas_s = min(h_gas_s, h_gas_i(iv))
endif
5 continue
! liquid-phase
! calculate h_gas_s and h_gas_l
h_gas_l = 2.e16
do 6 iv = 2, ngas_ioa
h_gas_i(iv) = 1.e16
sum_kg_phi = 0.0
do ibin = 1, nbin_a
if(integrate(iv,jliquid,ibin) .eq. mYES)then
sum_kg_phi = sum_kg_phi + &
abs(phi_volatile_l(iv,ibin))*kg(iv,ibin)
endif
enddo
if(sum_kg_phi .gt. 0.0)then
h_gas_i(iv) = alpha_astem/sum_kg_phi
h_gas_l = min(h_gas_l, h_gas_i(iv))
endif
6 continue
h_gas = min(h_gas_s, h_gas_l)
h_gas = min(h_gas, h_sub_max)
! aerosol-side: solid-phase
! first load volatile_solid array
do ibin = 1, nbin_a
volatile_s(ino3_a,ibin) = electrolyte(jnh4no3,jsolid,ibin)
volatile_s(inh4_a,ibin) = electrolyte(jnh4cl,jsolid,ibin) + &
electrolyte(jnh4no3,jsolid,ibin)
if(idry_case3a(ibin) .eq. mYES)then
volatile_s(icl_a,ibin) = aer(icl_a,jsolid,ibin)
else
volatile_s(icl_a,ibin) = electrolyte(jnh4cl,jsolid,ibin)
endif
enddo
! next calculate weighted avg_df_gas_s
do iv = 2, ngas_ioa
sum_bin_s(iv) = 0.0
sum_vdf_s(iv) = 0.0
sum_vol_s(iv) = 0.0
do ibin = 1, nbin_a
if(flux_s(iv,ibin) .lt. 0.)then ! aer -> gas
sum_bin_s(iv) = sum_bin_s(iv) + 1.0
sum_vdf_s(iv) = sum_vdf_s(iv) + &
volatile_s(iv,ibin)*df_gas_s(iv,ibin)
sum_vol_s(iv) = sum_vol_s(iv) + volatile_s(iv,ibin)
endif
enddo
if(sum_vol_s(iv) .gt. 0.0)then
avg_df_gas_s(iv) = sum_vdf_s(iv)/sum_vol_s(iv)
else
avg_df_gas_s(iv) = 1.0 ! never used, but set to 1.0 just to be safe
endif
enddo
! calculate h_s_i_m
do 20 ibin = 1, nbin_a
if(jaerosolstate(ibin) .eq. no_aerosol) goto 20
do 10 iv = 2, ngas_ioa
if(flux_s(iv,ibin) .lt. 0.)then ! aer -> gas
alpha = abs(avg_df_gas_s(iv))/ &
(volatile_s(iv,ibin)*sum_bin_s(iv))
alpha = min(alpha, 1.0D0)
if(idry_case3a(ibin) .eq. mYES)alpha = 1.0D0
h_s_i_m(iv,ibin) = &
-alpha*volatile_s(iv,ibin)/flux_s(iv,ibin)
endif
10 continue
20 continue
dtmax = min(dtchem, h_gas)
if(dtmax .eq. 0.0)then
write(6,*)' dtmax = ', dtmax
write(67,*)' dtmax = ', dtmax
call print_input
iprint_input = mNO
call peg_error_fatal( lunerr, " " )
endif
return
end subroutine astem_calculate_dtmax
!***********************************************************************
! part of ASTEM: updates solid-liquid partitioning after each gas-aerosol
! mass transfer step
!
! author: Rahul A. Zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine ASTEM_update_phase_eqblm(ibin) ! TOUCH
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer jdum, js, j_index, je ! raz update 11/13/2008
real(kind=8) XT, sum_dum ! raz update 11/13/2008
! calculate percent composition ! raz update 11/13/2008
sum_dum = 0.0
do je = 1, nelectrolyte
sum_dum = sum_dum + electrolyte(je,jtotal,ibin)
enddo
if(sum_dum .eq. 0.)sum_dum = 1.0
do je = 1, nelectrolyte
epercent(je,jtotal,ibin) = 100.*electrolyte(je,jtotal,ibin)/sum_dum
enddo
! calculate overall sulfate ratio
call calculate_XT(ibin,jtotal,XT) ! calc updated XT
! now diagnose MDRH
if(XT .lt. 1. .and. XT .gt. 0. )goto 10 ! excess sulfate domain - no MDRH exists
jdum = 0
do js = 1, nsalt
jsalt_present(js) = 0 ! default value - salt absent
if(epercent(js,jtotal,ibin) .gt. ptol_mol_astem)then
jsalt_present(js) = 1 ! salt present
jdum = jdum + jsalt_index(js)
endif
enddo
if(jdum .eq. 0)then
jaerosolstate(ibin) = all_solid ! no significant soluble material present
jphase(ibin) = jsolid
call adjust_solid_aerosol(ibin)
return
endif
if(XT .ge. 2.0 .or. XT .lt. 0.0)then
j_index = jsulf_poor(jdum)
else
j_index = jsulf_rich(jdum)
endif
MDRH(ibin) = MDRH_T(j_index)
if(aH2O*100. .lt. MDRH(ibin)) then
jaerosolstate(ibin) = all_solid
jphase(ibin) = jsolid
call adjust_solid_aerosol(ibin)
return
endif
! none of the above means it must be sub-saturated or mixed-phase
10 if(jphase(ibin) .eq. jsolid)then
call do_full_deliquescence(ibin)
call MESA_PTC(ibin)
else
call MESA_PTC(ibin)
endif
return
end subroutine ASTEM_update_phase_eqblm
!==================================================================
!
! LIQUID PARTICLES
!
!***********************************************************************
! part of ASTEM: computes fluxes over wet aerosols
!
! author: Rahul A. Zaveri
! update: Jan 2007
!-----------------------------------------------------------------------
subroutine ASTEM_flux_wet(ibin)
use module_data_mosaic_other, only: lunerr
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer iv, iadjust, iadjust_intermed
real(kind=8) xt, g_nh3_hno3, g_nh3_hcl, a_nh4_no3, a_nh4_cl
call ions_to_electrolytes(jliquid,ibin,XT) ! for water content calculation
call compute_activities(ibin)
if(water_a(ibin) .eq. 0.0)then
write(6,*)'Water is zero in liquid phase'
call peg_error_fatal( lunerr, "Stopping in ASTEM_flux_wet" )
endif
!-------------------------------------------------------------------
! CASE 1: caco3 > 0 absorb acids (and indirectly degas co2)
if(electrolyte(jcaco3,jsolid,ibin) .gt. 0.0)then
call ASTEM_flux_wet_case1(ibin)
return
endif
!-------------------------------------------------------------------
! CASE 2: Sulfate-Rich Domain
if(XT.lt.1.9999 .and. XT.ge.0.)then
call ASTEM_flux_wet_case2(ibin)
return
endif
!-------------------------------------------------------------------
if( (gas(inh3_g)+aer(inh4_a,jliquid,ibin)) .lt. 1.e-25)goto 10 ! no ammonia in the system
!-------------------------------------------------------------------
! CASE 3: nh4no3 and/or nh4cl maybe active
! do some small adjustments (if needed) before deciding case 3
iadjust = mNO ! default
iadjust_intermed = mNO ! default
! nh4no3
g_nh3_hno3 = gas(inh3_g)*gas(ihno3_g)
a_nh4_no3 = aer(inh4_a,jliquid,ibin)*aer(ino3_a,jliquid,ibin)
if(g_nh3_hno3 .gt. 0. .and. a_nh4_no3 .eq. 0.)then
call absorb_tiny_nh4no3(ibin)
iadjust = mYES
iadjust_intermed = mYES
endif
if(iadjust_intermed .eq. mYES)then
call ions_to_electrolytes(jliquid,ibin,XT) ! update after adjustments
iadjust_intermed = mNO ! reset
endif
! nh4cl
g_nh3_hcl = gas(inh3_g)*gas(ihcl_g)
a_nh4_cl = aer(inh4_a,jliquid,ibin)*aer(icl_a,jliquid,ibin)
if(g_nh3_hcl .gt. 0. .and. a_nh4_cl .eq. 0.)then
call absorb_tiny_nh4cl(ibin)
iadjust = mYES
iadjust_intermed = mYES
endif
if(iadjust_intermed .eq. mYES)then
call ions_to_electrolytes(jliquid,ibin,XT) ! update after adjustments
endif
if(iadjust .eq. mYES)then
call compute_activities(ibin) ! update after adjustments
endif
! all adjustments done...
!--------
kelvin_nh4no3 = kel(inh3_g,ibin)*kel(ihno3_g,ibin)
Keq_nh4no3 = kelvin_nh4no3*activity(jnh4no3,ibin)*Kp_nh4no3 ! = [NH3]s * [HNO3]s
kelvin_nh4cl = kel(inh3_g,ibin)*kel(ihcl_g,ibin)
Keq_nh4cl = kelvin_nh4cl*activity(jnh4cl,ibin)*Kp_nh4cl ! = [NH3]s * [HCl]s
call ASTEM_flux_wet_case3(ibin)
return
!-------------------------------------------------------------------
! CASE 4: ammonia = 0. hno3 and hcl exchange may happen here
! do small adjustments (if needed) before deciding case 4
10 iadjust = mNO ! default
iadjust_intermed = mNO ! default
! hno3
if(gas(ihno3_g).gt.0. .and. aer(ino3_a,jliquid,ibin).eq.0. .and. &
aer(icl_a,jliquid,ibin) .gt. 0.0)then
call absorb_tiny_hno3(ibin) ! and degas tiny hcl
iadjust = mYES
iadjust_intermed = mYES
endif
if(iadjust_intermed .eq. mYES)then
call ions_to_electrolytes(jliquid,ibin,XT) ! update after adjustments
iadjust_intermed = mNO ! reset
endif
! hcl
if(gas(ihcl_g).gt.0. .and. aer(icl_a,jliquid,ibin).eq.0. .and. &
aer(ino3_a,jliquid,ibin) .gt. 0.0)then
call absorb_tiny_hcl(ibin) ! and degas tiny hno3
iadjust = mYES
iadjust_intermed = mYES
endif
if(iadjust_intermed .eq. mYES)then
call ions_to_electrolytes(jliquid,ibin,XT) ! update after adjustments
endif
if(iadjust .eq. mYES)then
call compute_activities(ibin) ! update after adjustments
endif
! all adjustments done...
call ASTEM_flux_wet_case4(ibin)
return
end subroutine ASTEM_flux_wet
!***********************************************************************
! part of ASTEM: subroutines for flux_wet cases
!
! author: Rahul A. Zaveri
! update: Jan 2007
!-----------------------------------------------------------------------
! CASE 1: CaCO3 > 0 absorb all acids (and indirectly degas co2)
subroutine ASTEM_flux_wet_case1(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer iv
mc(jc_h,ibin) = sqrt(Keq_ll(3))
! same as dry case1
if(gas(ihno3_g) .gt. 1.e-5)then
sfc_a(ihno3_g) = 0.0
df_gas_s(ihno3_g,ibin) = gas(ihno3_g)
phi_volatile_s(ihno3_g,ibin) = 1.0
flux_s(ihno3_g,ibin) = kg(ihno3_g,ibin)*df_gas_s(ihno3_g,ibin)
integrate(ihno3_g,jsolid,ibin) = mYES
jphase(ibin) = jsolid
ieqblm_ASTEM = mNO
endif
if(gas(ihcl_g) .gt. 1.e-5)then
sfc_a(ihcl_g) = 0.0
df_gas_s(ihcl_g,ibin) = gas(ihcl_g)
phi_volatile_s(ihcl_g,ibin) = 1.0
flux_s(ihcl_g,ibin) = kg(ihcl_g,ibin)*df_gas_s(ihcl_g,ibin)
integrate(ihcl_g,jsolid,ibin) = mYES
jphase(ibin) = jsolid
ieqblm_ASTEM = mNO
endif
return
end subroutine ASTEM_flux_wet_case1
!--------------------------------------------------------------------
! CASE 2: Sulfate-Rich Domain
subroutine ASTEM_flux_wet_case2(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
real(kind=8) dum_hno3, dum_hcl, dum_nh3
sfc_a(inh3_g) = kel(inh3_g,ibin)* &
gam_ratio(ibin)*mc(jc_nh4,ibin)*Keq_ll(3)/ &
(mc(jc_h,ibin)*Keq_ll(2)*Keq_gl(2))
sfc_a(ihno3_g) = kel(ihno3_g,ibin)* &
mc(jc_h,ibin)*ma(ja_no3,ibin)*gam(jhno3,ibin)**2/ &
Keq_gl(3)
sfc_a(ihcl_g) = kel(ihcl_g,ibin)* &
mc(jc_h,ibin)*ma(ja_cl,ibin)*gam(jhcl,ibin)**2/ &
Keq_gl(4)
dum_hno3 = max(sfc_a(ihno3_g), gas(ihno3_g))
dum_hcl = max(sfc_a(ihcl_g), gas(ihcl_g))
dum_nh3 = max(sfc_a(inh3_g), gas(inh3_g))
! compute relative driving forces
if(dum_hno3 .gt. 0.0)then
df_gas_l(ihno3_g,ibin) = gas(ihno3_g) - sfc_a(ihno3_g)
phi_volatile_l(ihno3_g,ibin)= df_gas_l(ihno3_g,ibin)/dum_hno3
else
phi_volatile_l(ihno3_g,ibin)= 0.0
endif
if(dum_hcl .gt. 0.0)then
df_gas_l(ihcl_g,ibin) = gas(ihcl_g) - sfc_a(ihcl_g)
phi_volatile_l(ihcl_g,ibin) = df_gas_l(ihcl_g,ibin)/dum_hcl
else
phi_volatile_l(ihcl_g,ibin) = 0.0
endif
if(dum_nh3 .gt. 0.0)then
df_gas_l(inh3_g,ibin) = gas(inh3_g) - sfc_a(inh3_g)
phi_volatile_l(inh3_g,ibin) = df_gas_l(inh3_g,ibin)/dum_nh3
else
phi_volatile_l(inh3_g,ibin) = 0.0
endif
if(phi_volatile_l(ihno3_g,ibin) .le. rtol_eqb_astem .and. &
phi_volatile_l(ihcl_g,ibin) .le. rtol_eqb_astem .and. &
phi_volatile_l(inh3_g,ibin) .le. rtol_eqb_astem)then
return
endif
! compute Heff
if(dum_hno3 .gt. 0.0)then
Heff(ihno3_g,ibin)= &
kel(ihno3_g,ibin)*gam(jhno3,ibin)**2*mc(jc_h,ibin)*1.e-9/ &
(water_a(ibin)*Keq_gl(3))
integrate(ihno3_g,jliquid,ibin)= mYES
ieqblm_ASTEM = mNO
endif
if(dum_hcl .gt. 0.0)then
Heff(ihcl_g,ibin)= &
kel(ihcl_g,ibin)*gam(jhcl,ibin)**2*mc(jc_h,ibin)*1.e-9/ &
(water_a(ibin)*Keq_gl(4))
integrate(ihcl_g,jliquid,ibin) = mYES
ieqblm_ASTEM = mNO
endif
if(dum_nh3 .gt. 0.0)then
Heff(inh3_g,ibin) = &
kel(inh3_g,ibin)*gam_ratio(ibin)*1.e-9*Keq_ll(3)/ &
(water_a(ibin)*mc(jc_h,ibin)*Keq_ll(2)*Keq_gl(2))
integrate(inh3_g,jliquid,ibin) = mYES
ieqblm_ASTEM = mNO
endif
return
end subroutine ASTEM_flux_wet_case2
!---------------------------------------------------------------------
! CASE 3: nh4no3 and/or nh4cl may be active
subroutine ASTEM_flux_wet_case3(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
real(kind=8) a, b, c, dum_hno3, dum_hcl, dum_nh3
! function
! real(kind=8) quadratic
a = kg(inh3_g,ibin)
b = - kg(inh3_g,ibin)*gas(inh3_g) &
+ kg(ihno3_g,ibin)*gas(ihno3_g) &
+ kg(ihcl_g,ibin)*gas(ihcl_g)
c = -(kg(ihno3_g,ibin)*Keq_nh4no3 + kg(ihcl_g,ibin)*Keq_nh4cl)
sfc_a(inh3_g) = quadratic(a,b,c)
sfc_a(ihno3_g) = Keq_nh4no3/max(sfc_a(inh3_g),1.D-20)
sfc_a(ihcl_g) = Keq_nh4cl/max(sfc_a(inh3_g),1.D-20)
! diagnose mH+
if(sfc_a(ihno3_g).gt.0.0 .and. ma(ja_no3,ibin).gt.0.0)then
mc(jc_h,ibin) = Keq_gl(3)*sfc_a(ihno3_g)/ &
(kel(ihno3_g,ibin)*gam(jhno3,ibin)**2 * ma(ja_no3,ibin))
elseif(sfc_a(ihcl_g).gt.0.0 .and. ma(ja_cl,ibin).gt.0.0)then
mc(jc_h,ibin) = Keq_gl(4)*sfc_a(ihcl_g)/ &
(kel(ihcl_g,ibin)*gam(jhcl,ibin)**2 * ma(ja_cl,ibin))
else
call equilibrate_acids(ibin) ! hno3 and/or hcl may be > 0 in the gas phase
mc(jc_h,ibin) = max(mc(jc_h,ibin), sqrt(Keq_ll(3)))
sfc_a(inh3_g) = kel(inh3_g,ibin)* &
gam_ratio(ibin)*mc(jc_nh4,ibin)*Keq_ll(3)/ &
(mc(jc_h,ibin)*Keq_ll(2)*Keq_gl(2))
sfc_a(ihno3_g) = kel(ihno3_g,ibin)* &
mc(jc_h,ibin)*ma(ja_no3,ibin)*gam(jhno3,ibin)**2/ &
Keq_gl(3)
sfc_a(ihcl_g) = kel(ihcl_g,ibin)* &
mc(jc_h,ibin)*ma(ja_cl,ibin)*gam(jhcl,ibin)**2/ &
Keq_gl(4)
endif
dum_hno3 = max(sfc_a(ihno3_g), gas(ihno3_g))
dum_hcl = max(sfc_a(ihcl_g), gas(ihcl_g))
dum_nh3 = max(sfc_a(inh3_g), gas(inh3_g))
! compute relative driving forces
if(dum_hno3 .gt. 0.0)then
df_gas_l(ihno3_g,ibin) = gas(ihno3_g) - sfc_a(ihno3_g)
phi_volatile_l(ihno3_g,ibin)= df_gas_l(ihno3_g,ibin)/dum_hno3
else
phi_volatile_l(ihno3_g,ibin)= 0.0
endif
if(dum_hcl .gt. 0.0)then
df_gas_l(ihcl_g,ibin) = gas(ihcl_g) - sfc_a(ihcl_g)
phi_volatile_l(ihcl_g,ibin) = df_gas_l(ihcl_g,ibin)/dum_hcl
else
phi_volatile_l(ihcl_g,ibin) = 0.0
endif
if(dum_nh3 .gt. 0.0)then
df_gas_l(inh3_g,ibin) = gas(inh3_g) - sfc_a(inh3_g)
phi_volatile_l(inh3_g,ibin) = df_gas_l(inh3_g,ibin)/dum_nh3
else
phi_volatile_l(inh3_g,ibin) = 0.0
endif
if(phi_volatile_l(ihno3_g,ibin) .le. rtol_eqb_astem .and. &
phi_volatile_l(ihcl_g,ibin) .le. rtol_eqb_astem .and. &
phi_volatile_l(inh3_g,ibin) .le. rtol_eqb_astem)then
return
endif
! compute Heff
if(dum_hno3 .gt. 0.0)then
Heff(ihno3_g,ibin)= &
kel(ihno3_g,ibin)*gam(jhno3,ibin)**2*mc(jc_h,ibin)*1.e-9/ &
(water_a(ibin)*Keq_gl(3))
integrate(ihno3_g,jliquid,ibin)= mYES
ieqblm_ASTEM = mNO
endif
if(dum_hcl .gt. 0.0)then
Heff(ihcl_g,ibin)= &
kel(ihcl_g,ibin)*gam(jhcl,ibin)**2*mc(jc_h,ibin)*1.e-9/ &
(water_a(ibin)*Keq_gl(4))
integrate(ihcl_g,jliquid,ibin) = mYES
ieqblm_ASTEM = mNO
endif
if(dum_nh3 .gt. 0.0)then
Heff(inh3_g,ibin) = &
kel(inh3_g,ibin)*gam_ratio(ibin)*1.e-9*Keq_ll(3)/ &
(water_a(ibin)*mc(jc_h,ibin)*Keq_ll(2)*Keq_gl(2))
integrate(inh3_g,jliquid,ibin) = mYES
ieqblm_ASTEM = mNO
endif
return
end subroutine ASTEM_flux_wet_case3
!--------------------------------------------------------------------
! CASE 3a: only NH4NO3 (aq) active
subroutine ASTEM_flux_wet_case3a(ibin) ! NH4NO3 (aq)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
real(kind=8) a, b, c, dum_hno3, dum_nh3
! function
! real(kind=8) quadratic
a = kg(inh3_g,ibin)
b = - kg(inh3_g,ibin)*gas(inh3_g) &
+ kg(ihno3_g,ibin)*gas(ihno3_g)
c = -(kg(ihno3_g,ibin)*Keq_nh4no3)
sfc_a(inh3_g) = quadratic(a,b,c)
sfc_a(ihno3_g) = Keq_nh4no3/sfc_a(inh3_g)
! diagnose mH+
if(sfc_a(ihno3_g).gt.0.0 .and. ma(ja_no3,ibin).gt.0.0)then
mc(jc_h,ibin) = Keq_gl(3)*sfc_a(ihno3_g)/ &
(kel(ihno3_g,ibin)*gam(jhno3,ibin)**2 * ma(ja_no3,ibin))
else
mc(jc_h,ibin) = sqrt(Keq_ll(3))
endif
! compute Heff
dum_hno3 = max(sfc_a(ihno3_g), gas(ihno3_g))
dum_nh3 = max(sfc_a(inh3_g), gas(inh3_g))
! compute relative driving forces
if(dum_hno3 .gt. 0.0)then
df_gas_l(ihno3_g,ibin) = gas(ihno3_g) - sfc_a(ihno3_g)
phi_volatile_l(ihno3_g,ibin)= df_gas_l(ihno3_g,ibin)/dum_hno3
else
phi_volatile_l(ihno3_g,ibin)= 0.0
endif
if(dum_nh3 .gt. 0.0)then
df_gas_l(inh3_g,ibin) = gas(inh3_g) - sfc_a(inh3_g)
phi_volatile_l(inh3_g,ibin) = df_gas_l(inh3_g,ibin)/dum_nh3
else
phi_volatile_l(inh3_g,ibin) = 0.0
endif
if(phi_volatile_l(ihno3_g,ibin) .le. rtol_eqb_astem .and. &
phi_volatile_l(inh3_g,ibin) .le. rtol_eqb_astem)then
return
endif
! compute Heff
Heff(ihno3_g,ibin)= &
kel(ihno3_g,ibin)*gam(jhno3,ibin)**2*mc(jc_h,ibin)*1.e-9/ &
(water_a(ibin)*Keq_gl(3))
integrate(ihno3_g,jliquid,ibin)= mYES
Heff(inh3_g,ibin) = &
kel(inh3_g,ibin)*gam_ratio(ibin)*1.e-9*Keq_ll(3)/ &
(water_a(ibin)*mc(jc_h,ibin)*Keq_ll(2)*Keq_gl(2))
integrate(inh3_g,jliquid,ibin) = mYES
ieqblm_ASTEM = mNO
return
end subroutine ASTEM_flux_wet_case3a
!--------------------------------------------------------------------
! CASE 3b: only NH4Cl (aq) active
subroutine ASTEM_flux_wet_case3b(ibin) ! NH4Cl (aq)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
real(kind=8) a, b, c, dum_hcl, dum_nh3
! function
! real(kind=8) quadratic
a = kg(inh3_g,ibin)
b = - kg(inh3_g,ibin)*gas(inh3_g) &
+ kg(ihcl_g,ibin)*gas(ihcl_g)
c = -(kg(ihcl_g,ibin)*Keq_nh4cl)
sfc_a(inh3_g) = quadratic(a,b,c)
sfc_a(ihcl_g) = Keq_nh4cl /sfc_a(inh3_g)
! diagnose mH+
if(sfc_a(ihcl_g).gt.0.0 .and. ma(ja_cl,ibin).gt.0.0)then
mc(jc_h,ibin) = Keq_gl(4)*sfc_a(ihcl_g)/ &
(kel(ihcl_g,ibin)*gam(jhcl,ibin)**2 * ma(ja_cl,ibin))
else
mc(jc_h,ibin) = sqrt(Keq_ll(3))
endif
! compute Heff
dum_hcl = max(sfc_a(ihcl_g), gas(ihcl_g))
dum_nh3 = max(sfc_a(inh3_g), gas(inh3_g))
! compute relative driving forces
if(dum_hcl .gt. 0.0)then
df_gas_l(ihcl_g,ibin) = gas(ihcl_g) - sfc_a(ihcl_g)
phi_volatile_l(ihcl_g,ibin) = df_gas_l(ihcl_g,ibin)/dum_hcl
else
phi_volatile_l(ihcl_g,ibin) = 0.0
endif
if(dum_nh3 .gt. 0.0)then
df_gas_l(inh3_g,ibin) = gas(inh3_g) - sfc_a(inh3_g)
phi_volatile_l(inh3_g,ibin) = df_gas_l(inh3_g,ibin)/dum_nh3
else
phi_volatile_l(inh3_g,ibin) = 0.0
endif
if(phi_volatile_l(ihcl_g,ibin) .le. rtol_eqb_astem .and. &
phi_volatile_l(inh3_g,ibin) .le. rtol_eqb_astem)then
return
endif
! compute Heff
Heff(ihcl_g,ibin)= &
kel(ihcl_g,ibin)*gam(jhcl,ibin)**2*mc(jc_h,ibin)*1.e-9/ &
(water_a(ibin)*Keq_gl(4))
integrate(ihcl_g,jliquid,ibin) = mYES
Heff(inh3_g,ibin) = &
kel(inh3_g,ibin)*gam_ratio(ibin)*1.e-9*Keq_ll(3)/ &
(water_a(ibin)*mc(jc_h,ibin)*Keq_ll(2)*Keq_gl(2))
integrate(inh3_g,jliquid,ibin) = mYES
ieqblm_ASTEM = mNO
return
end subroutine ASTEM_flux_wet_case3b
!-----------------------------------------------------------------------
! CASE 4: NH3 = 0 (in gas and aerosol). hno3 and hcl exchange may happen here
subroutine ASTEM_flux_wet_case4(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
real(kind=8) dum_numer, dum_denom, gas_eqb_ratio, dum_hno3, dum_hcl
dum_numer = kel(ihno3_g,ibin)*Keq_gl(4)*ma(ja_no3,ibin)* &
gam(jhno3,ibin)**2
dum_denom = kel(ihcl_g,ibin)*Keq_gl(3)*ma(ja_cl ,ibin)* &
gam(jhcl,ibin)**2
if(dum_denom .eq. 0.0 .or. dum_numer .eq. 0.0)then
mc(jc_h,ibin) = sqrt(Keq_ll(3))
return
endif
gas_eqb_ratio = dum_numer/dum_denom ! Ce,hno3/Ce,hcl
! compute equilibrium surface concentrations
sfc_a(ihcl_g) = &
( kg(ihno3_g,ibin)*gas(ihno3_g)+kg(ihcl_g,ibin)*gas(ihcl_g) )/ &
( kg(ihcl_g,ibin) + gas_eqb_ratio*kg(ihno3_g,ibin) )
sfc_a(ihno3_g)= gas_eqb_ratio*sfc_a(ihcl_g)
! diagnose mH+
if(sfc_a(ihno3_g).gt.0.0 .and. ma(ja_no3,ibin).gt.0.0)then
mc(jc_h,ibin) = Keq_gl(3)*sfc_a(ihno3_g)/ &
(kel(ihno3_g,ibin)*gam(jhno3,ibin)**2 * ma(ja_no3,ibin))
elseif(sfc_a(ihcl_g).gt.0.0 .and. ma(ja_cl,ibin).gt.0.0)then
mc(jc_h,ibin) = Keq_gl(4)*sfc_a(ihcl_g)/ &
(kel(ihcl_g,ibin)*gam(jhcl,ibin)**2 * ma(ja_cl,ibin))
else
mc(jc_h,ibin) = sqrt(Keq_ll(3))
endif
! compute Heff
dum_hno3 = max(sfc_a(ihno3_g), gas(ihno3_g)) ! raz-30apr07
dum_hcl = max(sfc_a(ihcl_g), gas(ihcl_g)) ! raz-30apr07
! compute relative driving forces
if(dum_hno3 .gt. 0.0)then
df_gas_l(ihno3_g,ibin) = gas(ihno3_g) - sfc_a(ihno3_g)
phi_volatile_l(ihno3_g,ibin)= df_gas_l(ihno3_g,ibin)/dum_hno3
else
phi_volatile_l(ihno3_g,ibin)= 0.0
endif
if(dum_hcl .gt. 0.0)then
df_gas_l(ihcl_g,ibin) = gas(ihcl_g) - sfc_a(ihcl_g)
phi_volatile_l(ihcl_g,ibin)= df_gas_l(ihcl_g,ibin)/dum_hcl
else
phi_volatile_l(ihcl_g,ibin)= 0.0
endif
if(phi_volatile_l(ihno3_g,ibin) .le. rtol_eqb_astem .and. &
phi_volatile_l(ihcl_g,ibin) .le. rtol_eqb_astem)then
return
endif
! compute Heff
Heff(ihno3_g,ibin)= &
kel(ihno3_g,ibin)*gam(jhno3,ibin)**2*mc(jc_h,ibin)*1.e-9/ &
(water_a(ibin)*Keq_gl(3))
integrate(ihno3_g,jliquid,ibin)= mYES
Heff(ihcl_g,ibin)= &
kel(ihcl_g,ibin)*gam(jhcl,ibin)**2*mc(jc_h,ibin)*1.e-9/ &
(water_a(ibin)*Keq_gl(4))
integrate(ihcl_g,jliquid,ibin) = mYES
ieqblm_ASTEM = mNO
return
end subroutine ASTEM_flux_wet_case4
!===========================================================
!
! DRY PARTICLES
!
!===========================================================
!***********************************************************************
! part of ASTEM: computes gas-aerosol fluxes over dry aerosols
!
! author: Rahul A. Zaveri
! update: dec 2006
!-----------------------------------------------------------------------
subroutine ASTEM_flux_dry(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer iv
real(kind=8) XT, prod_nh4no3, prod_nh4cl, volatile_cl
call calculate_XT(ibin,jsolid,XT)
!-----------------------------------------------------------------
! CASE 1: caco3 > 0 absorb all acids (and indirectly degas co2)
if(electrolyte(jcaco3,jsolid,ibin) .gt. 0.0)then
call ASTEM_flux_dry_case1(ibin)
return
endif
!-----------------------------------------------------------------
! CASE 2: Sulfate-Rich Domain
if(XT.lt.1.9999 .and. XT.ge.0.)then ! excess sulfate (acidic)
call ASTEM_flux_dry_case2(ibin)
return
endif
!-------------------------------------------------------------------
! CASE 3: hno3 and hcl exchange may happen here and nh4cl may form/evaporate
volatile_cl = electrolyte(jnacl,jsolid,ibin) + &
electrolyte(jcacl2,jsolid,ibin)
if(volatile_cl .gt. 0.0 .and. gas(ihno3_g).gt. 0.0 )then
call ASTEM_flux_dry_case3a(ibin)
Keq_nh4cl_0 = min(Kp_nh4cl_0, Keq_sg(2)) ! raz update 6/25/2008
prod_nh4cl = max( (gas(inh3_g)*gas(ihcl_g)-Keq_nh4cl_0), 0.0d0) + &
electrolyte(jnh4cl, jsolid,ibin) ! raz update 6/25/2008
if(prod_nh4cl .gt. 0.0)then
call ASTEM_flux_dry_case3b(ibin)
endif
return
endif
!-----------------------------------------------------------------
! CASE 4: nh4no3 or nh4cl or both may be active
Keq_nh4no3_0 = min(Kp_nh4no3_0, Keq_sg(1)) ! raz update 6/25/2008
Keq_nh4cl_0 = min(Kp_nh4cl_0, Keq_sg(2)) ! raz update 6/25/2008
prod_nh4no3 = max( (gas(inh3_g)*gas(ihno3_g)-Keq_nh4no3_0), 0.0d0) + &
electrolyte(jnh4no3,jsolid,ibin) ! raz update 6/25/2008
prod_nh4cl = max( (gas(inh3_g)*gas(ihcl_g) -Keq_nh4cl_0), 0.0d0) + &
electrolyte(jnh4cl, jsolid,ibin) ! raz update 6/25/2008
if(prod_nh4no3 .gt. 0.0 .or. prod_nh4cl .gt. 0.0)then
call ASTEM_flux_dry_case4(ibin)
return
endif
!-----------------------------------------------------------------
return
end subroutine ASTEM_flux_dry
!----------------------------------------------------------------------
!***********************************************************************
! part of ASTEM: subroutines for flux_dry cases
!
! author: Rahul A. Zaveri
! update: dec 2006
!-----------------------------------------------------------------------
! CASE 1: caco3 > 0 absorb all acids (and indirectly degas co2)
subroutine ASTEM_flux_dry_case1(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
if(gas(ihno3_g) .gt. 1.e-5)then
sfc_a(ihno3_g) = 0.0
df_gas_s(ihno3_g,ibin) = gas(ihno3_g)
phi_volatile_s(ihno3_g,ibin) = 1.0
flux_s(ihno3_g,ibin) = kg(ihno3_g,ibin)*df_gas_s(ihno3_g,ibin)
integrate(ihno3_g,jsolid,ibin) = mYES
ieqblm_ASTEM = mNO
endif
if(gas(ihcl_g) .gt. 1.e-5)then
sfc_a(ihcl_g) = 0.0
df_gas_s(ihcl_g,ibin) = gas(ihcl_g)
phi_volatile_s(ihcl_g,ibin) = 1.0
flux_s(ihcl_g,ibin) = kg(ihcl_g,ibin)*df_gas_s(ihcl_g,ibin)
integrate(ihcl_g,jsolid,ibin) = mYES
ieqblm_ASTEM = mNO
endif
return
end subroutine ASTEM_flux_dry_case1
!---------------------------------------------------------------------
! CASE 2: Sulfate-Rich Domain
subroutine ASTEM_flux_dry_case2(ibin) ! TOUCH
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
if(gas(inh3_g).gt.1.e-5)then
sfc_a(inh3_g) = 0.0
df_gas_s(inh3_g,ibin) = gas(inh3_g)
phi_volatile_s(inh3_g,ibin) = 1.0
flux_s(inh3_g,ibin) = kg(inh3_g,ibin)*gas(inh3_g)
integrate(inh3_g,jsolid,ibin) = mYES
ieqblm_ASTEM = mNO
endif
return
end subroutine ASTEM_flux_dry_case2
!---------------------------------------------------------------------
! CASE 3a: degas hcl from nacl or cacl2 by flux_s balance with hno3
subroutine ASTEM_flux_dry_case3a(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
if(gas(ihno3_g) .gt. 1.e-5)then
sfc_a(ihno3_g) = 0.0
sfc_a(ihcl_g) = gas(ihcl_g) + aer(icl_a,jsolid,ibin)
df_gas_s(ihno3_g,ibin) = gas(ihno3_g)
df_gas_s(ihcl_g,ibin) = -aer(icl_a,jsolid,ibin)
flux_s(ihno3_g,ibin) = kg(ihno3_g,ibin)*gas(ihno3_g)
flux_s(ihcl_g,ibin) = -flux_s(ihno3_g,ibin)
phi_volatile_s(ihno3_g,ibin) = 1.0
phi_volatile_s(ihcl_g,ibin)=df_gas_s(ihcl_g,ibin)/sfc_a(ihcl_g)
integrate(ihno3_g,jsolid,ibin) = mYES
integrate(ihcl_g,jsolid,ibin) = mYES
idry_case3a(ibin) = mYES
ieqblm_ASTEM = mNO
endif
return
end subroutine ASTEM_flux_dry_case3a
!---------------------------------------------------------------------
! CASE 3b: nh4cl may form/evaporate here
subroutine ASTEM_flux_dry_case3b(ibin) ! TOUCH
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer iactive_nh4cl, js ! raz update 11/13/2008
real(kind=8) a, b, c, sum_dum ! raz update 11/13/2008
! function
! real(kind=8) quadratic
! calculate percent composition ! raz update 11/13/2008
sum_dum = 0.0
do js = 1, nsalt
sum_dum = sum_dum + electrolyte(js,jsolid,ibin)
enddo
if(sum_dum .eq. 0.)sum_dum = 1.0
epercent(jnh4cl,jsolid,ibin) = 100.*electrolyte(jnh4cl,jsolid,ibin)/sum_dum
!-------------------
! set default values for flags
iactive_nh4cl = 1
! compute relative driving force
phi_nh4cl_s = (gas(inh3_g)*gas(ihcl_g) - Keq_sg(2))/ &
max(gas(inh3_g)*gas(ihcl_g),Keq_sg(2))
!-------------------
! now determine if nh4cl is active or significant
! nh4cl
if( abs(phi_nh4cl_s) .lt. rtol_eqb_ASTEM )then
iactive_nh4cl = 0
elseif(gas(inh3_g)*gas(ihcl_g) .lt. Keq_sg(2) .and. &
epercent(jnh4cl, jsolid,ibin) .le. ptol_mol_ASTEM)then
iactive_nh4cl = 0
if(epercent(jnh4cl, jsolid,ibin) .gt. 0.0)then
call degas_solid_nh4cl(ibin)
endif
endif
! check the outcome
if(iactive_nh4cl .eq. 0)return
!-----------------
! nh4cl is active
a = kg(inh3_g,ibin)
b = - kg(inh3_g,ibin)*gas(inh3_g) &
+ kg(ihcl_g,ibin)*gas(ihcl_g)
c = -(kg(ihcl_g,ibin)*Keq_sg(2))
sfc_a(inh3_g) = quadratic(a,b,c)
sfc_a(ihcl_g) = Keq_sg(2)/sfc_a(inh3_g)
df_gas_s(ihcl_g,ibin) = gas(ihcl_g) - sfc_a(ihcl_g)
df_gas_s(inh3_g,ibin) = gas(inh3_g) - sfc_a(inh3_g)
flux_s(inh3_g,ibin) = kg(inh3_g,ibin)*df_gas_s(inh3_g,ibin)
flux_s(ihcl_g,ibin) = flux_s(ihcl_g,ibin) + flux_s(inh3_g,ibin)
phi_volatile_s(inh3_g,ibin) = phi_nh4cl_s
if(flux_s(ihcl_g,ibin) .gt. 0.0)then
df_gas_s(ihcl_g,ibin) = flux_s(ihcl_g,ibin)/kg(ihcl_g,ibin) ! recompute df_gas
phi_volatile_s(ihcl_g,ibin) = phi_nh4cl_s
else
sfc_a(ihcl_g) = gas(ihcl_g) + aer(icl_a,jsolid,ibin)
df_gas_s(ihcl_g,ibin) = -aer(icl_a,jsolid,ibin)
phi_volatile_s(ihcl_g,ibin)=df_gas_s(ihcl_g,ibin)/sfc_a(ihcl_g) ! not to be used
endif
integrate(inh3_g,jsolid,ibin) = mYES
integrate(ihcl_g,jsolid,ibin) = mYES ! integrate HCl with explicit euler
ieqblm_ASTEM = mNO
return
end subroutine ASTEM_flux_dry_case3b
!---------------------------------------------------------------------
! Case 4: NH4NO3 and/or NH4Cl may be active
subroutine ASTEM_flux_dry_case4(ibin) ! TOUCH
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer iactive_nh4no3, iactive_nh4cl, iactive, js ! raz update 11/13/2008
real(kind=8) a, b, c, sum_dum ! raz update 11/13/2008
! function
! real(kind=8) quadratic
! calculate percent composition ! raz update 11/13/2008
sum_dum = 0.0
do js = 1, nsalt
sum_dum = sum_dum + electrolyte(js,jsolid,ibin)
enddo
if(sum_dum .eq. 0.)sum_dum = 1.0
epercent(jnh4no3,jsolid,ibin) = 100.*electrolyte(jnh4no3,jsolid,ibin)/sum_dum
epercent(jnh4cl, jsolid,ibin) = 100.*electrolyte(jnh4cl, jsolid,ibin)/sum_dum
!-------------------
! set default values for flags
iactive_nh4no3 = 1
iactive_nh4cl = 2
! compute diagnostic products and ratios
phi_nh4no3_s = (gas(inh3_g)*gas(ihno3_g) - Keq_sg(1))/ &
max(gas(inh3_g)*gas(ihno3_g),Keq_sg(1))
phi_nh4cl_s = (gas(inh3_g)*gas(ihcl_g) - Keq_sg(2))/ &
max(gas(inh3_g)*gas(ihcl_g),Keq_sg(2))
!-------------------
! now determine if nh4no3 and/or nh4cl are active or significant
! nh4no3
if( abs(phi_nh4no3_s) .lt. rtol_eqb_ASTEM )then
iactive_nh4no3 = 0
elseif(gas(inh3_g)*gas(ihno3_g) .lt. Keq_sg(1) .and. &
epercent(jnh4no3,jsolid,ibin) .le. ptol_mol_ASTEM)then
iactive_nh4no3 = 0
if(epercent(jnh4no3,jsolid,ibin) .gt. 0.0)then
call degas_solid_nh4no3(ibin)
endif
endif
! nh4cl
if( abs(phi_nh4cl_s) .lt. rtol_eqb_ASTEM )then
iactive_nh4cl = 0
elseif(gas(inh3_g)*gas(ihcl_g) .lt. Keq_sg(2) .and. &
epercent(jnh4cl, jsolid,ibin) .le. ptol_mol_ASTEM)then
iactive_nh4cl = 0
if(epercent(jnh4cl, jsolid,ibin) .gt. 0.0)then
call degas_solid_nh4cl(ibin)
endif
endif
iactive = iactive_nh4no3 + iactive_nh4cl
! check the outcome
if(iactive .eq. 0)return
goto (1,2,3),iactive
!---------------------------------
! only nh4no3 solid is active
1 call ASTEM_flux_dry_case4a(ibin)
return
!-----------------
! only nh4cl solid is active
2 call ASTEM_flux_dry_case4b(ibin)
return
!-----------------
! both nh4no3 and nh4cl are active
3 call ASTEM_flux_dry_case4ab(ibin)
return
end subroutine ASTEM_flux_dry_case4
!---------------------------------------------------------------------
! Case 4a
subroutine ASTEM_flux_dry_case4a(ibin) ! NH4NO3 solid
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
real(kind=8) a, b, c
! function
! real(kind=8) quadratic
a = kg(inh3_g,ibin)
b = - kg(inh3_g,ibin)*gas(inh3_g) &
+ kg(ihno3_g,ibin)*gas(ihno3_g)
c = -(kg(ihno3_g,ibin)*Keq_nh4no3_0) ! raz update 6/25/2008
sfc_a(inh3_g) = quadratic(a,b,c)
sfc_a(ihno3_g) = Keq_nh4no3_0/sfc_a(inh3_g) ! raz update 6/25/2008
integrate(ihno3_g,jsolid,ibin) = mYES
integrate(inh3_g,jsolid,ibin) = mYES
df_gas_s(ihno3_g,ibin)=gas(ihno3_g)-sfc_a(ihno3_g)
df_gas_s(inh3_g,ibin) =gas(inh3_g) -sfc_a(inh3_g)
phi_volatile_s(ihno3_g,ibin)= phi_nh4no3_s
phi_volatile_s(inh3_g,ibin) = phi_nh4no3_s
flux_s(ihno3_g,ibin) = kg(ihno3_g,ibin)*df_gas_s(ihno3_g,ibin)
flux_s(inh3_g,ibin) = flux_s(ihno3_g,ibin)
ieqblm_ASTEM = mNO
return
end subroutine ASTEM_flux_dry_case4a
!---------------------------------------------------------
! Case 4b
subroutine ASTEM_flux_dry_case4b(ibin) ! NH4Cl solid
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
real(kind=8) a, b, c
! function
! real(kind=8) quadratic
a = kg(inh3_g,ibin)
b = - kg(inh3_g,ibin)*gas(inh3_g) &
+ kg(ihcl_g,ibin)*gas(ihcl_g)
c = -(kg(ihcl_g,ibin)*Keq_nh4cl_0) ! raz update 6/25/2008
sfc_a(inh3_g) = quadratic(a,b,c)
sfc_a(ihcl_g) = Keq_nh4cl_0 /sfc_a(inh3_g) ! raz update 6/25/2008
integrate(ihcl_g,jsolid,ibin) = mYES
integrate(inh3_g,jsolid,ibin) = mYES
df_gas_s(ihcl_g,ibin) = gas(ihcl_g)-sfc_a(ihcl_g)
df_gas_s(inh3_g,ibin) = gas(inh3_g)-sfc_a(inh3_g)
phi_volatile_s(ihcl_g,ibin) = phi_nh4cl_s
phi_volatile_s(inh3_g,ibin) = phi_nh4cl_s
flux_s(ihcl_g,ibin) = kg(ihcl_g,ibin)*df_gas_s(ihcl_g,ibin)
flux_s(inh3_g,ibin) = flux_s(ihcl_g,ibin)
ieqblm_ASTEM = mNO
return
end subroutine ASTEM_flux_dry_case4b
!-------------------------------------------------------------------
! Case 4ab
subroutine ASTEM_flux_dry_case4ab(ibin) ! NH4NO3 + NH4Cl (solid)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
real(kind=8) a, b, c, &
flux_nh3_est, flux_nh3_max, ratio_flux
! function
! real(kind=8) quadratic
call ASTEM_flux_dry_case4a(ibin)
call ASTEM_flux_dry_case4b(ibin)
! estimate nh3 flux and adjust hno3 and/or hcl if necessary
flux_nh3_est = flux_s(ihno3_g,ibin)+flux_s(ihcl_g,ibin)
flux_nh3_max = kg(inh3_g,ibin)*gas(inh3_g)
if(flux_nh3_est .le. flux_nh3_max)then
flux_s(inh3_g,ibin) = flux_nh3_est ! all ok - no adjustments needed
sfc_a(inh3_g) = gas(inh3_g) - & ! recompute sfc_a(ihno3_g)
flux_s(inh3_g,ibin)/kg(inh3_g,ibin)
phi_volatile_s(inh3_g,ibin) = max(abs(phi_nh4no3_s), &
abs(phi_nh4cl_s))
else ! reduce hno3 and hcl flux_ses as necessary so that nh3 flux_s = flux_s_nh3_max
ratio_flux = flux_nh3_max/flux_nh3_est
flux_s(inh3_g,ibin) = flux_nh3_max
flux_s(ihno3_g,ibin)= flux_s(ihno3_g,ibin)*ratio_flux
flux_s(ihcl_g,ibin) = flux_s(ihcl_g,ibin) *ratio_flux
sfc_a(inh3_g) = 0.0
sfc_a(ihno3_g)= gas(ihno3_g) - & ! recompute sfc_a(ihno3_g)
flux_s(ihno3_g,ibin)/kg(ihno3_g,ibin)
sfc_a(ihcl_g) = gas(ihcl_g) - & ! recompute sfc_a(ihcl_g)
flux_s(ihcl_g,ibin)/kg(ihcl_g,ibin)
df_gas_s(inh3_g,ibin) =gas(inh3_g) -sfc_a(inh3_g)
df_gas_s(ihno3_g,ibin)=gas(ihno3_g)-sfc_a(ihno3_g)
df_gas_s(ihcl_g,ibin) =gas(ihcl_g) -sfc_a(ihcl_g)
phi_volatile_s(inh3_g,ibin) = max(abs(phi_nh4no3_s), &
abs(phi_nh4cl_s))
endif
ieqblm_ASTEM = mNO
return
end subroutine ASTEM_flux_dry_case4ab
!=======================================================================
!
! MIXED-PHASE PARTICLES
!
!***********************************************************************
! part of ASTEM: computes gas-aerosol fluxes over mixed-phase aerosols
!
! author: Rahul A. Zaveri
! update: apr 2006
!-----------------------------------------------------------------------
subroutine ASTEM_flux_mix(ibin)
use module_data_mosaic_other, only: lunerr
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer iv, iadjust, iadjust_intermed, js ! raz update 11/13/2008
real(kind=8) XT, g_nh3_hno3, g_nh3_hcl, &
a_nh4_no3, a_nh4_cl, a_no3, a_cl, &
prod_nh4no3, prod_nh4cl
real(kind=8) volatile_cl, sum_dum ! raz update 11/13/2008
call ions_to_electrolytes(jliquid,ibin,XT) ! for water content calculation
call compute_activities(ibin)
if(water_a(ibin) .eq. 0.0)then
write(6,*)'Water is zero in liquid phase'
call peg_error_fatal( lunerr, "Stopping in ASTEM_flux_wet" )
endif
! calculate percent composition ! raz update 11/13/2008
sum_dum = 0.0
do js = 1, nsalt
sum_dum = sum_dum + electrolyte(js,jsolid,ibin)
enddo
if(sum_dum .eq. 0.)sum_dum = 1.0
epercent(jcaco3,jsolid,ibin) = 100.*electrolyte(jcaco3,jsolid,ibin)/sum_dum
! reset
Keq_nh4no3_0 = Keq_sg(1) ! raz update 6/25/2008
Keq_nh4cl_0 = Keq_sg(2) ! raz update 6/25/2008
!-----------------------------------------------------------------
! MIXED CASE 1: caco3 > 0 absorb all acids (and indirectly degas co2)
if(epercent(jcaco3,jsolid,ibin) .gt. 0.0)then
jphase(ibin) = jliquid
call ASTEM_flux_wet_case1(ibin)
return
endif
!-----------------------------------------------------------------
! MIXED CASE 2: Sulfate-Rich Domain
if(XT.lt.1.9999 .and. XT.ge.0.)then ! excess sulfate (acidic)
jphase(ibin) = jliquid
call ASTEM_flux_wet_case2(ibin)
return
endif
!-------------------------------------------------------------------
! MIXED CASE 3: hno3 and hcl exchange may happen here and nh4cl may form/evaporate
volatile_cl = electrolyte(jnacl,jsolid,ibin) + &
electrolyte(jcacl2,jsolid,ibin)
if(volatile_cl .gt. 0.0 .and. gas(ihno3_g).gt. 0.0 )then
call ASTEM_flux_dry_case3a(ibin)
prod_nh4cl = max( (gas(inh3_g)*gas(ihcl_g)-Keq_sg(2)), 0.0d0) + &
electrolyte(jnh4cl, jsolid,ibin)
if(prod_nh4cl .gt. 0.0)then
call ASTEM_flux_dry_case3b(ibin)
endif
jphase(ibin) = jsolid
return
endif
!-------------------------------------------------------------------
! MIXED CASE 4: nh4no3 or nh4cl or both may be active
if( electrolyte(jnh4no3,jsolid,ibin).gt.0. .and. &
electrolyte(jnh4cl,jsolid,ibin) .gt.0. )then
jphase(ibin) = jsolid
call ASTEM_flux_dry_case4(ibin)
if(sfc_a(ihno3_g).gt.0.0 .and. ma(ja_no3,ibin).gt.0.0)then
mc(jc_h,ibin) = Keq_gl(3)*sfc_a(ihno3_g)/ &
(kel(ihno3_g,ibin)*gam(jhno3,ibin)**2 * ma(ja_no3,ibin))
elseif(sfc_a(ihcl_g).gt.0.0 .and. ma(ja_cl,ibin).gt.0.0)then
mc(jc_h,ibin) = Keq_gl(4)*sfc_a(ihcl_g)/ &
(kel(ihcl_g,ibin)*gam(jhcl,ibin)**2 * ma(ja_cl,ibin))
else
mc(jc_h,ibin) = sqrt(Keq_ll(3))
endif
return
elseif( electrolyte(jnh4no3,jsolid,ibin).gt.0. )then
! do small adjustments for nh4cl aq
g_nh3_hcl= gas(inh3_g)*gas(ihcl_g)
a_nh4_cl = aer(inh4_a,jliquid,ibin)*aer(icl_a,jliquid,ibin)
iadjust = mNO ! initialize
if(g_nh3_hcl .gt. 0.0 .and. a_nh4_cl .eq. 0.0)then
call absorb_tiny_nh4cl(ibin)
iadjust = mYES
elseif(g_nh3_hcl .eq. 0.0 .and. a_nh4_cl .gt. 0.0)then
call degas_tiny_nh4cl(ibin)
iadjust = mYES
endif
if(iadjust .eq. mYES)then
call ions_to_electrolytes(jliquid,ibin,XT) ! update after adjustments
call compute_activities(ibin) ! update after adjustments
endif
call ASTEM_flux_mix_case4a(ibin) ! nh4no3 solid + nh4cl aq
jphase(ibin) = jtotal
return
elseif( electrolyte(jnh4cl,jsolid,ibin).gt.0.)then
! do small adjustments for nh4no3 aq
g_nh3_hno3= gas(inh3_g)*gas(ihno3_g)
a_nh4_no3 = aer(inh4_a,jliquid,ibin)*aer(ino3_a,jliquid,ibin)
iadjust = mNO ! initialize
if(g_nh3_hno3 .gt. 0.0 .and. a_nh4_no3 .eq. 0.0)then
call absorb_tiny_nh4no3(ibin)
iadjust = mYES
elseif(g_nh3_hno3 .eq. 0.0 .and. a_nh4_no3 .gt. 0.0)then
call degas_tiny_nh4no3(ibin)
iadjust = mYES
endif
if(iadjust .eq. mYES)then
call ions_to_electrolytes(jliquid,ibin,XT) ! update after adjustments
call compute_activities(ibin) ! update after adjustments
endif
kelvin_nh4no3 = kel(inh3_g,ibin)*kel(ihno3_g,ibin)
Keq_nh4no3 = kelvin_nh4no3*activity(jnh4no3,ibin)*Kp_nh4no3 ! = [NH3]s * [HNO3]s
call ASTEM_flux_mix_case4b(ibin) ! nh4cl solid + nh4no3 aq
jphase(ibin) = jtotal
return
endif
!-------------------------------------------------------------------
if( (gas(inh3_g)+aer(inh4_a,jliquid,ibin)) .lt. 1.e-25)goto 10 ! no ammonia in the system
!-------------------------------------------------------------------
! MIXED CASE 5: liquid nh4no3 and/or nh4cl maybe active
! do some small adjustments (if needed) before deciding case 3
iadjust = mNO ! default
iadjust_intermed = mNO ! default
! nh4no3
g_nh3_hno3 = gas(inh3_g)*gas(ihno3_g)
a_nh4_no3 = aer(inh4_a,jliquid,ibin)*aer(ino3_a,jliquid,ibin)
if(g_nh3_hno3 .gt. 0. .and. a_nh4_no3 .eq. 0.)then
call absorb_tiny_nh4no3(ibin)
iadjust = mYES
iadjust_intermed = mYES
endif
if(iadjust_intermed .eq. mYES)then
call ions_to_electrolytes(jliquid,ibin,XT) ! update after adjustments
iadjust_intermed = mNO ! reset
endif
! nh4cl
g_nh3_hcl = gas(inh3_g)*gas(ihcl_g)
a_nh4_cl = aer(inh4_a,jliquid,ibin)*aer(icl_a,jliquid,ibin)
if(g_nh3_hcl .gt. 0. .and. a_nh4_cl .eq. 0.)then
call absorb_tiny_nh4cl(ibin)
iadjust = mYES
iadjust_intermed = mYES
endif
if(iadjust_intermed .eq. mYES)then
call ions_to_electrolytes(jliquid,ibin,XT) ! update after adjustments
endif
if(iadjust .eq. mYES)then
call compute_activities(ibin) ! update after adjustments
endif
! all adjustments done...
!--------
kelvin_nh4no3 = kel(inh3_g,ibin)*kel(ihno3_g,ibin)
Keq_nh4no3 = kelvin_nh4no3*activity(jnh4no3,ibin)*Kp_nh4no3 ! = [NH3]s * [HNO3]s
kelvin_nh4cl = kel(inh3_g,ibin)*kel(ihcl_g,ibin)
Keq_nh4cl = kelvin_nh4cl*activity(jnh4cl,ibin)*Kp_nh4cl ! = [NH3]s * [HCl]s
call ASTEM_flux_wet_case3(ibin)
jphase(ibin) = jliquid
return
!-------------------------------------------------------------------
! MIXED CASE 6: ammonia = 0. liquid hno3 and hcl exchange may happen here
! do small adjustments (if needed) before deciding case 4
10 iadjust = mNO ! default
iadjust_intermed = mNO ! default
! hno3
if(gas(ihno3_g).gt.0. .and. aer(ino3_a,jliquid,ibin).eq.0. .and. &
aer(icl_a,jliquid,ibin) .gt. 0.0)then
call absorb_tiny_hno3(ibin) ! and degas tiny hcl
iadjust = mYES
iadjust_intermed = mYES
endif
if(iadjust_intermed .eq. mYES)then
call ions_to_electrolytes(jliquid,ibin,XT) ! update after adjustments
iadjust_intermed = mNO ! reset
endif
! hcl
if(gas(ihcl_g).gt.0. .and. aer(icl_a,jliquid,ibin) .eq. 0. .and. &
aer(ino3_a,jliquid,ibin) .gt. 0.0)then
call absorb_tiny_hcl(ibin) ! and degas tiny hno3
iadjust = mYES
iadjust_intermed = mYES
endif
if(iadjust_intermed .eq. mYES)then
call ions_to_electrolytes(jliquid,ibin,XT) ! update after adjustments
endif
if(iadjust .eq. mYES)then
call compute_activities(ibin) ! update after adjustments
endif
! all adjustments done...
call ASTEM_flux_wet_case4(ibin)
jphase(ibin) = jliquid
return
end subroutine ASTEM_flux_mix
!----------------------------------------------------------------------
!------------------------------------------------------------------
! Mix Case 4a: NH4NO3 solid maybe active. NH4Cl aq maybe active
subroutine ASTEM_flux_mix_case4a(ibin) ! TOUCH
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer iactive_nh4no3, iactive_nh4cl, js ! raz update 11/13/2008
real(kind=8) sum_dum ! raz update 11/13/2008
! set default values for flags
iactive_nh4no3 = mYES
iactive_nh4cl = mYES
! calculate percent composition ! raz update 11/13/2008
sum_dum = 0.0
do js = 1, nsalt
sum_dum = sum_dum + electrolyte(js,jsolid,ibin)
enddo
if(sum_dum .eq. 0.)sum_dum = 1.0
epercent(jnh4no3,jsolid,ibin) = 100.*electrolyte(jnh4no3,jsolid,ibin)/sum_dum
! nh4no3 (solid)
phi_nh4no3_s = (gas(inh3_g)*gas(ihno3_g) - Keq_sg(1))/ &
max(gas(inh3_g)*gas(ihno3_g),Keq_sg(1))
! nh4cl (liquid)
kelvin_nh4cl = kel(inh3_g,ibin)*kel(ihcl_g,ibin)
Keq_nh4cl = kelvin_nh4cl*activity(jnh4cl,ibin)*Kp_nh4cl ! = [NH3]s * [HCl]s
!-------------------
! now determine if nh4no3 and/or nh4cl are active or significant
! nh4no3 solid
if( abs(phi_nh4no3_s) .le. rtol_eqb_ASTEM )then
iactive_nh4no3 = mNO
elseif(gas(inh3_g)*gas(ihno3_g) .lt. Keq_sg(1) .and. &
epercent(jnh4no3,jsolid,ibin) .le. ptol_mol_ASTEM)then
iactive_nh4no3 = mNO
if(epercent(jnh4no3,jsolid,ibin) .gt. 0.0)then
call degas_solid_nh4no3(ibin)
endif
endif
! nh4cl aq
if( gas(inh3_g)*gas(ihcl_g).eq.0. .or. Keq_nh4cl.eq.0. )then
iactive_nh4cl = mNO
endif
!---------------------------------
if(iactive_nh4no3 .eq. mYES)then
jphase(ibin) = jsolid
call ASTEM_flux_dry_case4a(ibin) ! NH4NO3 (solid)
if(sfc_a(ihno3_g).gt.0.0 .and. ma(ja_no3,ibin).gt.0.0)then
mc(jc_h,ibin) = Keq_gl(3)*sfc_a(ihno3_g)/ &
(kel(ihno3_g,ibin)*gam(jhno3,ibin)**2 * ma(ja_no3,ibin))
elseif(sfc_a(ihcl_g).gt.0.0 .and. ma(ja_cl,ibin).gt.0.0)then
mc(jc_h,ibin) = Keq_gl(4)*sfc_a(ihcl_g)/ &
(kel(ihcl_g,ibin)*gam(jhcl,ibin)**2 * ma(ja_cl,ibin))
else
mc(jc_h,ibin) = sqrt(Keq_ll(3))
endif
endif
if(iactive_nh4cl .eq. mYES)then
jphase(ibin) = jliquid
call ASTEM_flux_wet_case3b(ibin) ! NH4Cl (liquid)
if(sfc_a(ihcl_g).gt.0.0 .and. ma(ja_cl,ibin).gt.0.0)then
mc(jc_h,ibin) = Keq_gl(4)*sfc_a(ihcl_g)/ &
(kel(ihcl_g,ibin)*gam(jhcl,ibin)**2 * ma(ja_cl,ibin))
else
mc(jc_h,ibin) = sqrt(Keq_ll(3))
endif
endif
if(iactive_nh4cl .eq. mYES .and. iactive_nh4no3 .eq. mYES)then
jphase(ibin) = jtotal
endif
return
end subroutine ASTEM_flux_mix_case4a
!------------------------------------------------------------------
! Mix Case 4b: NH4Cl solid maybe active. NH4NO3 aq may or maybe active
subroutine ASTEM_flux_mix_case4b(ibin) ! TOUCH
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer iactive_nh4no3, iactive_nh4cl, js ! raz update 11/13/2008
real(kind=8) sum_dum ! raz update 11/13/2008
! set default values for flags
iactive_nh4cl = mYES
iactive_nh4no3 = mYES
! calculate percent composition ! raz update 11/13/2008
sum_dum = 0.0
do js = 1, nsalt
sum_dum = sum_dum + electrolyte(js,jsolid,ibin)
enddo
if(sum_dum .eq. 0.)sum_dum = 1.0
epercent(jnh4cl,jsolid,ibin) = 100.*electrolyte(jnh4cl,jsolid,ibin)/sum_dum
! nh4cl (solid)
phi_nh4cl_s = (gas(inh3_g)*gas(ihcl_g) - Keq_sg(2))/ &
max(gas(inh3_g)*gas(ihcl_g),Keq_sg(2))
! nh4no3 (liquid)
kelvin_nh4no3 = kel(inh3_g,ibin)*kel(ihno3_g,ibin)
Keq_nh4no3 = kelvin_nh4no3*activity(jnh4no3,ibin)*Kp_nh4no3 ! = [NH3]s * [HNO3]s
!-------------------
! now determine if nh4no3 and/or nh4cl are active or significant
! nh4cl (solid)
if( abs(phi_nh4cl_s) .le. rtol_eqb_ASTEM )then
iactive_nh4cl = mNO
elseif(gas(inh3_g)*gas(ihcl_g) .lt. Keq_sg(2) .and. &
epercent(jnh4cl,jsolid,ibin) .le. ptol_mol_ASTEM)then
iactive_nh4cl = mNO
if(epercent(jnh4cl,jsolid,ibin) .gt. 0.0)then
call degas_solid_nh4cl(ibin)
endif
endif
! nh4no3 (liquid)
if( gas(inh3_g)*gas(ihno3_g).eq.0. .or. Keq_nh4no3.eq.0. )then
iactive_nh4no3 = mNO
endif
!---------------------------------
if(iactive_nh4cl .eq. mYES)then
jphase(ibin) = jsolid
call ASTEM_flux_dry_case4b(ibin) ! NH4Cl (solid)
if(sfc_a(ihcl_g).gt.0.0 .and. ma(ja_cl,ibin).gt.0.0)then
mc(jc_h,ibin) = Keq_gl(4)*sfc_a(ihcl_g)/ &
(kel(ihcl_g,ibin)*gam(jhcl,ibin)**2 * ma(ja_cl,ibin))
elseif(sfc_a(ihno3_g).gt.0.0 .and. ma(ja_no3,ibin).gt.0.0)then
mc(jc_h,ibin) = Keq_gl(3)*sfc_a(ihno3_g)/ &
(kel(ihno3_g,ibin)*gam(jhno3,ibin)**2 * ma(ja_no3,ibin))
else
mc(jc_h,ibin) = sqrt(Keq_ll(3))
endif
endif
if(iactive_nh4no3 .eq. mYES)then
jphase(ibin) = jliquid
call ASTEM_flux_wet_case3a(ibin) ! NH4NO3 (liquid)
if(sfc_a(ihno3_g).gt.0.0 .and. ma(ja_no3,ibin).gt.0.0)then
mc(jc_h,ibin) = Keq_gl(3)*sfc_a(ihno3_g)/ &
(kel(ihno3_g,ibin)*gam(jhno3,ibin)**2 * ma(ja_no3,ibin))
else
mc(jc_h,ibin) = sqrt(Keq_ll(3))
endif
endif
if(iactive_nh4cl .eq. mYES .and. iactive_nh4no3 .eq. mYES)then
jphase(ibin) = jtotal
endif
return
end subroutine ASTEM_flux_mix_case4b
!***********************************************************************
! part of ASTEM: condenses h2so4, msa, and nh3 analytically over dtchem [s]
!
! author: Rahul A. Zaveri
! update: jan 2007
!-----------------------------------------------------------------------
subroutine ASTEM_non_volatiles(dtchem) ! TOUCH
! implicit none
! include 'mosaic.h'
! subr arguments
real(kind=8) dtchem
! local variables
integer ibin, iupdate_phase_state
real(kind=8) decay_h2so4, decay_msa, &
delta_h2so4, delta_tmsa, delta_nh3, delta_hno3, delta_hcl, &
delta_so4(nbin_a), delta_msa(nbin_a), &
delta_nh4(nbin_a)
! DL (10/7/2012) - move N2O5 het uptake into non-volatile subroutine, so that
! NH3 uptake to balance acid uptake takes place too
real(kind=8) :: decay_n2o5, &
delta_n2o5, delta_clno2, &
delta_no3_rct1(nbin_a), delta_no3_rct2(nbin_a)
real(kind=8) XT
sumkg_h2so4 = 0.0
sumkg_msa = 0.0
sumkg_nh3 = 0.0
sumkg_hno3 = 0.0
sumkg_hcl = 0.0
do ibin = 1, nbin_a
sumkg_h2so4 = sumkg_h2so4 + kg(ih2so4_g,ibin)
sumkg_msa = sumkg_msa + kg(imsa_g,ibin)
sumkg_nh3 = sumkg_nh3 + kg(inh3_g,ibin)
sumkg_hno3 = sumkg_hno3 + kg(ihno3_g,ibin)
sumkg_hcl = sumkg_hcl + kg(ihcl_g,ibin)
enddo
! DL (10/7/2012)
sumkg_n2o5 = 0.0
do ibin = 1, nbin_a
sumkg_n2o5 = sumkg_n2o5 + kg(in2o5_g,ibin)
enddo
!--------------------------------------
! H2SO4
if(gas(ih2so4_g) .gt. 1.e-14)then
! integrate h2so4 condensation analytically
decay_h2so4 = exp(-sumkg_h2so4*dtchem)
delta_h2so4 = gas(ih2so4_g)*(1.0 - decay_h2so4)
gas(ih2so4_g) = gas(ih2so4_g)*decay_h2so4
! now distribute delta_h2so4 to each bin and conform the particle (may degas by massbal)
do ibin = 1, nbin_a
if(jaerosolstate(ibin) .ne. no_aerosol)then
delta_so4(ibin) = delta_h2so4*kg(ih2so4_g,ibin)/sumkg_h2so4
aer(iso4_a,jtotal,ibin) = aer(iso4_a,jtotal,ibin) + &
delta_so4(ibin)
endif
enddo
else
delta_h2so4 = 0.0
do ibin = 1, nbin_a
delta_so4(ibin) = 0.0
enddo
endif
! h2so4 condensation is now complete
!--------------------------------------
! MSA
if(gas(imsa_g) .gt. 1.e-14)then
! integrate msa condensation analytically
decay_msa = exp(-sumkg_msa*dtchem)
delta_tmsa = gas(imsa_g)*(1.0 - decay_msa)
gas(imsa_g) = gas(imsa_g)*decay_msa
! now distribute delta_msa to each bin and conform the particle (may degas by massbal)
do ibin = 1, nbin_a
if(jaerosolstate(ibin) .ne. no_aerosol)then
delta_msa(ibin) = delta_tmsa*kg(imsa_g,ibin)/sumkg_msa
aer(imsa_a,jtotal,ibin) = aer(imsa_a,jtotal,ibin) + &
delta_msa(ibin)
endif
enddo
else
delta_tmsa = 0.0
do ibin = 1, nbin_a
delta_msa(ibin) = 0.0
enddo
endif
! msa condensation is now complete
!-------------------------------------
if(n2o5_flag .gt. 0) then
! DL (10/7/2012) moved from separate subroutine into involatile subroutine
!--------------------------------------
! N2O5 uptake, if there is enough gas, and uptake is non-zero
! (currently we only calculate uptake for aqueous particles,
! so in some circumstances we could have aerosol but no reaction)
if(gas(in2o5_g) .gt. 1.e-14 .and. sumkg_n2o5 .gt. 0.0)then
! integrate n2o5 condensation analytically
decay_n2o5 = exp(-sumkg_n2o5*dtchem)
delta_n2o5 = gas(in2o5_g)*(1.0 - decay_n2o5)
gas(in2o5_g) = gas(in2o5_g)*decay_n2o5
! now distribute delta_n2o5 to each bin and conform the particle (may degas by massbal)
do ibin = 1, nbin_a
if(jaerosolstate(ibin) .ne. no_aerosol)then
delta_no3_rct1(ibin) = delta_n2o5*frac_n2o5_h2o(ibin)*kg(in2o5_g,ibin)/sumkg_n2o5
delta_no3_rct2(ibin) = delta_n2o5*(1.0-frac_n2o5_h2o(ibin))*kg(in2o5_g,ibin)/sumkg_n2o5
aer(ino3_a,jtotal,ibin) = aer(ino3_a,jtotal,ibin) + &
(2.0*delta_no3_rct1(ibin)+delta_no3_rct2(ibin))
! check to ensure we don't get negative Cl- concentrations
! - if this will occur then branch the remaining N2O5 to reaction 1
if(aer(icl_a,jtotal,ibin).ge.delta_no3_rct2(ibin))then
aer(icl_a,jtotal,ibin) = aer(icl_a,jtotal,ibin) - &
delta_no3_rct2(ibin)
gas(iclno2_g) = gas(iclno2_g) + &
delta_no3_rct2(ibin)
else
aer(ino3_a,jtotal,ibin) = aer(ino3_a,jtotal,ibin) + &
(delta_no3_rct2(ibin)-aer(icl_a,jtotal,ibin))
gas(iclno2_g) = gas(iclno2_g) + &
aer(icl_a,jtotal,ibin)
! record the amount of remaining N2O5 which branches to reaction 1 (this is
! for the purposes of determining NH3 uptake later)
delta_no3_rct1(ibin) = delta_no3_rct1(ibin) + (delta_no3_rct2(ibin)-aer(icl_a,jtotal,ibin))
delta_no3_rct2(ibin) = aer(icl_a,jtotal,ibin)
aer(icl_a,jtotal,ibin) = 0.0
endif
endif
enddo
else
delta_n2o5 = 0.0
do ibin = 1, nbin_a
delta_no3_rct1(ibin) = 0.0
delta_no3_rct2(ibin) = 0.0
enddo
endif
else
delta_n2o5 = 0.0 ! if we're not using the N2O5 het scheme then set these to zero for ion balance calculations below
do ibin = 1, nbin_a
delta_no3_rct1(ibin) = 0.0
delta_no3_rct2(ibin) = 0.0
enddo
endif
! compute max allowable nh3, hno3, and hcl condensation
delta_nh3 = gas(inh3_g) *(1.0 - exp(-sumkg_nh3*dtchem))
delta_hno3= gas(ihno3_g)*(1.0 - exp(-sumkg_hno3*dtchem))
delta_hcl = gas(ihcl_g) *(1.0 - exp(-sumkg_hcl*dtchem))
! compute max possible nh4 condensation for each bin
do ibin = 1, nbin_a
if(jaerosolstate(ibin) .ne. no_aerosol)then
delta_nh3_max(ibin) = delta_nh3*kg(inh3_g,ibin)/sumkg_nh3
delta_hno3_max(ibin)= delta_hno3*kg(ihno3_g,ibin)/sumkg_hno3
delta_hcl_max(ibin) = delta_hcl*kg(ihcl_g,ibin)/sumkg_hcl
endif
enddo
if(delta_h2so4 .eq. 0.0 .and. delta_tmsa .eq. 0.0 .and. delta_n2o5 .eq. 0.0)then
iupdate_phase_state = mNO
goto 100
endif
! now condense appropriate amounts of nh3 to each bin
do ibin = 1, nbin_a
if(epercent(jnacl,jtotal,ibin) .eq. 0.0 .and. &
epercent(jcacl2,jtotal,ibin) .eq. 0.0 .and. &
epercent(jnano3,jtotal,ibin) .eq. 0.0 .and. &
epercent(jcano3,jtotal,ibin) .eq. 0.0 .and. &
epercent(jcaco3,jtotal,ibin) .eq. 0.0 .and. &
jaerosolstate(ibin) .ne. no_aerosol)then
delta_nh4(ibin)=min( (2.*delta_so4(ibin)+delta_msa(ibin)+2.*delta_no3_rct1(ibin)+delta_no3_rct2(ibin)), &
delta_nh3_max(ibin) )
aer(inh4_a,jtotal,ibin) = aer(inh4_a,jtotal,ibin) + & ! update aer-phase
delta_nh4(ibin)
gas(inh3_g) = gas(inh3_g) - delta_nh4(ibin) ! update gas-phase
else
delta_nh4(ibin) = 0.0
endif
enddo
iupdate_phase_state = mYES
! recompute phase equilibrium
100 if(iupdate_phase_state .eq. mYES)then
do ibin = 1, nbin_a
if(jaerosolstate(ibin) .ne. no_aerosol)then
call conform_electrolytes(jtotal,ibin,XT)
call aerosol_phase_state(ibin)
endif
enddo
endif
return
end subroutine ASTEM_non_volatiles
!***********************************************************************
! computes mass transfer coefficients for each condensing species for
! all the aerosol bins
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine aerosolmtc(vbs_nbin)
use module_data_mosaic_asect
! implicit none
! include 'v33com9a'
! include 'mosaic.h'
! local variables
integer nghq,vbs_nbin(1)
integer start_ind
parameter (nghq = 2) ! gauss-hermite quadrature order
integer ibin, iq, iv
real(kind=8) tworootpi, root2, beta
parameter (tworootpi = 3.5449077, root2 = 1.4142135, beta = 2.0)
real(kind=8) cdum, dp, dp_avg, fkn, kn, lnsg, lndpgn, lndp, speed, &
sumghq
real(kind=8) xghq(nghq), wghq(nghq) ! quadrature abscissae and weights
real(kind=8) mw_vol(ngas_volatile+ngas_het), v_molar(ngas_volatile+ngas_het), & ! mw and molar vols of volatile species
freepath(ngas_volatile+ngas_het), accom(ngas_volatile+ngas_het), &
dg(ngas_volatile+ngas_het) ! keep local
! real(kind=8) fuchs_sutugin ! mosaic func
! real(kind=8) gas_diffusivity ! mosaic func
! real(kind=8) mean_molecular_speed ! mosaic func
! molecular weights
mw_vol(ih2so4_g) = 98.0
mw_vol(ihno3_g) = 63.0
mw_vol(ihcl_g) = 36.5
mw_vol(inh3_g) = 17.0
mw_vol(in2o5_g) = 108.0
mw_vol(iclno2_g) = 81.5
mw_vol(imsa_g) = 96.0
mw_vol(ipcg1_b_c_g) =250.0
mw_vol(ipcg2_b_c_g) =250.0
mw_vol(ipcg3_b_c_g)=250.0
mw_vol(ipcg4_b_c_g)=250.0
mw_vol(ipcg5_b_c_g)=250.0
mw_vol(ipcg6_b_c_g)=250.0
mw_vol(ipcg7_b_c_g)=250.0
mw_vol(ipcg8_b_c_g)=250.0
mw_vol(ipcg9_b_c_g)=250.0
mw_vol(iopcg1_b_c_g)=250.0
mw_vol(iopcg2_b_c_g)=250.0
mw_vol(iopcg3_b_c_g)=250.0
mw_vol(iopcg4_b_c_g)=250.0
mw_vol(iopcg5_b_c_g)=250.0
mw_vol(iopcg6_b_c_g)=250.0
mw_vol(iopcg7_b_c_g)=250.0
mw_vol(iopcg8_b_c_g)=250.0
mw_vol(ipcg1_b_o_g)=250.0
mw_vol(ipcg2_b_o_g)=250.0
mw_vol(ipcg3_b_o_g)=250.0
mw_vol(ipcg4_b_o_g)=250.0
mw_vol(ipcg5_b_o_g)=250.0
mw_vol(ipcg6_b_o_g)=250.0
mw_vol(ipcg7_b_o_g)=250.0
mw_vol(ipcg8_b_o_g)=250.0
mw_vol(ipcg9_b_o_g)=250.0
mw_vol(iopcg1_b_o_g)=250.0
mw_vol(iopcg2_b_o_g)=250.0
mw_vol(iopcg3_b_o_g)=250.0
mw_vol(iopcg4_b_o_g)=250.0
mw_vol(iopcg5_b_o_g)=250.0
mw_vol(iopcg6_b_o_g)=250.0
mw_vol(iopcg7_b_o_g)=250.0
mw_vol(iopcg8_b_o_g)=250.0
mw_vol(ipcg1_f_c_g) =250.0
mw_vol(ipcg2_f_c_g) =250.0
mw_vol(ipcg3_f_c_g)=250.0
mw_vol(ipcg4_f_c_g)=250.0
mw_vol(ipcg5_f_c_g)=250.0
mw_vol(ipcg6_f_c_g)=250.0
mw_vol(ipcg7_f_c_g)=250.0
mw_vol(ipcg8_f_c_g)=250.0
mw_vol(ipcg9_f_c_g)=250.0
mw_vol(iopcg1_f_c_g)=250.0
mw_vol(iopcg2_f_c_g)=250.0
mw_vol(iopcg3_f_c_g)=250.0
mw_vol(iopcg4_f_c_g)=250.0
mw_vol(iopcg5_f_c_g)=250.0
mw_vol(iopcg6_f_c_g)=250.0
mw_vol(iopcg7_f_c_g)=250.0
mw_vol(iopcg8_f_c_g)=250.0
mw_vol(ipcg1_f_o_g)=250.0
mw_vol(ipcg2_f_o_g)=250.0
mw_vol(ipcg3_f_o_g)=250.0
mw_vol(ipcg4_f_o_g)=250.0
mw_vol(ipcg5_f_o_g)=250.0
mw_vol(ipcg6_f_o_g)=250.0
mw_vol(ipcg7_f_o_g)=250.0
mw_vol(ipcg8_f_o_g)=250.0
mw_vol(ipcg9_f_o_g)=250.0
mw_vol(iopcg1_f_o_g)=250.0
mw_vol(iopcg2_f_o_g)=250.0
mw_vol(iopcg3_f_o_g)=250.0
mw_vol(iopcg4_f_o_g)=250.0
mw_vol(iopcg5_f_o_g)=250.0
mw_vol(iopcg6_f_o_g)=250.0
mw_vol(iopcg7_f_o_g)=250.0
mw_vol(iopcg8_f_o_g)=250.0
mw_vol(ismpa_g)=250.0
mw_vol(ismpbb_g)=250.0
mw_vol(igly)=58.0
mw_vol(iho)=17.0
mw_vol(iant1_c_g)=250.0
mw_vol(iant2_c_g)=250.0
mw_vol(iant3_c_g)=250.0
mw_vol(iant4_c_g)=250.0
mw_vol(iant1_o_g)=250.0
mw_vol(iant2_o_g)=250.0
mw_vol(iant3_o_g)=250.0
mw_vol(iant4_o_g)=250.0
mw_vol(ibiog1_c_g)=250.0
mw_vol(ibiog2_c_g)=250.0
mw_vol(ibiog3_c_g)=250.0
mw_vol(ibiog4_c_g)=250.0
mw_vol(ibiog1_o_g)=250.0
mw_vol(ibiog2_o_g)=250.0
mw_vol(ibiog3_o_g)=250.0
mw_vol(ibiog4_o_g)=250.0
mw_vol(iasoaX_g)=250.0
mw_vol(iasoa1_g)=250.0
mw_vol(iasoa2_g)=250.0
mw_vol(iasoa3_g)=250.0
mw_vol(iasoa4_g)=250.0
mw_vol(ibsoaX_g)=250.0
mw_vol(ibsoa1_g)=250.0
mw_vol(ibsoa2_g)=250.0
mw_vol(ibsoa3_g)=250.0
mw_vol(ibsoa4_g)=250.0
v_molar(ih2so4_g)= 42.88
v_molar(ihno3_g) = 24.11
v_molar(ihcl_g) = 21.48
v_molar(inh3_g) = 14.90
v_molar(imsa_g) = 58.00
v_molar(in2o5_g) = 60.40
v_molar(iclno2_g)= 52.70
! mass accommodation coefficients
accom(ih2so4_g) = 0.1
accom(ihno3_g) = 0.1
accom(ihcl_g) = 0.1
accom(inh3_g) = 0.1
accom(in2o5_g) = 0.1 ! dummy variable - will recalc later..
accom(iclno2_g) = 0.1 ! dummy - for convenience of calcs
accom(imsa_g) = 0.1
accom(ipcg1_b_c_g) =0.1
accom(ipcg2_b_c_g) =0.1
accom(ipcg3_b_c_g)=0.1
accom(ipcg4_b_c_g)=0.1
accom(ipcg5_b_c_g)=0.1
accom(ipcg6_b_c_g)=0.1
accom(ipcg7_b_c_g)=0.1
accom(ipcg8_b_c_g)=0.1
accom(ipcg9_b_c_g)=0.1
accom(iopcg1_b_c_g)=0.1
accom(iopcg2_b_c_g)=0.1
accom(iopcg3_b_c_g)=0.1
accom(iopcg4_b_c_g)=0.1
accom(iopcg5_b_c_g)=0.1
accom(iopcg6_b_c_g)=0.1
accom(iopcg7_b_c_g)=0.1
accom(iopcg8_b_c_g)=0.1
accom(ipcg1_b_o_g)=0.1
accom(ipcg2_b_o_g)=0.1
accom(ipcg3_b_o_g)=0.1
accom(ipcg4_b_o_g)=0.1
accom(ipcg5_b_o_g)=0.1
accom(ipcg6_b_o_g)=0.1
accom(ipcg7_b_o_g)=0.1
accom(ipcg8_b_o_g)=0.1
accom(ipcg9_b_o_g)=0.1
accom(iopcg1_b_o_g)=0.1
accom(iopcg2_b_o_g)=0.1
accom(iopcg3_b_o_g)=0.1
accom(iopcg4_b_o_g)=0.1
accom(iopcg5_b_o_g)=0.1
accom(iopcg6_b_o_g)=0.1
accom(iopcg7_b_o_g)=0.1
accom(iopcg8_b_o_g)=0.1
accom(ipcg1_f_c_g) =0.1
accom(ipcg2_f_c_g) =0.1
accom(ipcg3_f_c_g)=0.1
accom(ipcg4_f_c_g)=0.1
accom(ipcg5_f_c_g)=0.1
accom(ipcg6_f_c_g)=0.1
accom(ipcg7_f_c_g)=0.1
accom(ipcg8_f_c_g)=0.1
accom(ipcg9_f_c_g)=0.1
accom(iopcg1_f_c_g)=0.1
accom(iopcg2_f_c_g)=0.1
accom(iopcg3_f_c_g)=0.1
accom(iopcg4_f_c_g)=0.1
accom(iopcg5_f_c_g)=0.1
accom(iopcg6_f_c_g)=0.1
accom(iopcg7_f_c_g)=0.1
accom(iopcg8_f_c_g)=0.1
accom(ipcg1_f_o_g)=0.1
accom(ipcg2_f_o_g)=0.1
accom(ipcg3_f_o_g)=0.1
accom(ipcg4_f_o_g)=0.1
accom(ipcg5_f_o_g)=0.1
accom(ipcg6_f_o_g)=0.1
accom(ipcg7_f_o_g)=0.1
accom(ipcg8_f_o_g)=0.1
accom(ipcg9_f_o_g)=0.1
accom(iopcg1_f_o_g)=0.1
accom(iopcg2_f_o_g)=0.1
accom(iopcg3_f_o_g)=0.1
accom(iopcg4_f_o_g)=0.1
accom(iopcg5_f_o_g)=0.1
accom(iopcg6_f_o_g)=0.1
accom(iopcg7_f_o_g)=0.1
accom(iopcg8_f_o_g)=0.1
accom(ismpa_g)=0.1
accom(ismpbb_g)=0.1
! added glyoxal, but only for completeness - is hopefully never used
accom(igly)=0.1
accom(iho)=0.1
accom(iant1_c_g)=0.1
accom(iant2_c_g)=0.1
accom(iant3_c_g)=0.1
accom(iant4_c_g)=0.1
accom(iant1_o_g)=0.1
accom(iant2_o_g)=0.1
accom(iant3_o_g)=0.1
accom(iant4_o_g)=0.1
accom(ibiog1_c_g)=0.1
accom(ibiog2_c_g)=0.1
accom(ibiog3_c_g)=0.1
accom(ibiog4_c_g)=0.1
accom(ibiog1_o_g)=0.1
accom(ibiog2_o_g)=0.1
accom(ibiog3_o_g)=0.1
accom(ibiog4_o_g)=0.1
accom(iasoaX_g)=0.1
accom(iasoa1_g)=0.1
accom(iasoa2_g)=0.1
accom(iasoa3_g)=0.1
accom(iasoa4_g)=0.1
accom(ibsoaX_g)=0.1
accom(ibsoa1_g)=0.1
accom(ibsoa2_g)=0.1
accom(ibsoa3_g)=0.1
accom(ibsoa4_g)=0.1
! quadrature weights
xghq(1) = 0.70710678
xghq(2) = -0.70710678
wghq(1) = 0.88622693
wghq(2) = 0.88622693
! calculate gas diffusivity and mean free path for condensing gases
! ioa
do iv = 1, ngas_ioa
speed = mean_molecular_speed(t_k,mw_vol(iv)) ! cm/s
dg(iv) = gas_diffusivity(t_k,p_atm,mw_vol(iv),v_molar(iv)) ! cm^2/s
freepath(iv) = 3.*dg(iv)/speed ! cm
enddo
! soa
start_ind = 1
if(vbs_nbin(1) .eq. 0) then
start_ind = ismpa_g
else if (vbs_nbin(1) .eq. 4) then
start_ind = iasoaX_g
else
start_ind = ipcg1_b_c_g
end if
!BSINGH(03/10/2015): Added 2 in the following do-loop to accomodate oh and gly species.
! *IMPORTANT*:This is a TEMPORARY fix, we need a better fix for this problem.
do iv = start_ind, ngas_ioa + ngas_soa+2
speed = mean_molecular_speed(t_k,mw_vol(iv)) ! cm/s
dg(iv) = 0.1 ! cm^2/s (increased from 0.2 to 0.035 by Manish Shrivastava)
freepath(iv) = 3.*dg(iv)/speed
enddo
! het-rct gases ! DL 9/9/2011
do iv = (ngas_volatile+1), (ngas_volatile+ngas_het)
speed = mean_molecular_speed(t_k,mw_vol(iv)) ! cm/s
dg(iv) = gas_diffusivity(t_k,p_atm,mw_vol(iv),v_molar(iv)) ! cm^2/s
freepath(iv) = 3.*dg(iv)/speed ! cm
enddo
! calc mass transfer coefficients for gases over various aerosol bins
if (msize_framework .eq. mmodal) then
! for modal approach
do 10 ibin = 1, nbin_a
if(jaerosolstate(ibin) .eq. no_aerosol)goto 10
call calc_dry_n_wet_aerosol_props(ibin)
dpgn_a(ibin) = dp_wet_a(ibin) ! cm
lnsg = log(sigmag_a(ibin))
lndpgn = log(dpgn_a(ibin))
cdum = tworootpi*num_a(ibin)* &
exp(beta*lndpgn + 0.5*(beta*lnsg)**2)
do 20 iv = 1, ngas_volatile + ngas_het
if(iv.eq.in2o5_g)then ! recalculate accom coeff for N2O5
! for each different aerosol composition
! (use total aerosol composition for now)
if(n2o5_flag.gt.0)then
accom(iv) = acc_n2o5_bert_thorn(water_a(ibin),&
aer(ino3_a,jtotal,ibin),&
aer(icl_a,jtotal,ibin),&
vol_wet_a(ibin))
else
accom(iv) = 0.0
endif
end if
sumghq = 0.0
do 30 iq = 1, nghq ! sum over gauss-hermite quadrature points
lndp = lndpgn + beta*lnsg**2 + root2*lnsg*xghq(iq)
dp = exp(lndp)
kn = 2.*freepath(iv)/dp
fkn = fuchs_sutugin(kn,accom(iv))
sumghq = sumghq + wghq(iq)*dp*fkn/(dp**beta)
30 continue
kg(iv,ibin) = cdum*dg(iv)*sumghq ! 1/s
20 continue
if(n2o5_flag.gt.0)then
! calculate the reaction path splitting for
! heterogeneous N2O5 reactions
frac_n2o5_h2o(ibin) = split_n2o5_bert_thorn(water_a(ibin),&
aer(icl_a,jtotal,ibin),&
vol_wet_a(ibin))
else
frac_n2o5_h2o(ibin) = 0.0
endif
10 continue
elseif(msize_framework .eq. msection)then
! for sectional approach
do 11 ibin = 1, nbin_a
if(jaerosolstate(ibin) .eq. no_aerosol)goto 11
call calc_dry_n_wet_aerosol_props(ibin)
dp_avg = dp_wet_a(ibin)
cdum = 6.283185*dp_avg*num_a(ibin)
do 21 iv = 1, ngas_volatile+ngas_het
if(iv.eq.in2o5_g)then ! recalculate accom coeff for N2O5
! for each different aerosol composition
! (use total aerosol composition for now)
if(n2o5_flag.gt.0)then
accom(iv) = acc_n2o5_bert_thorn(water_a(ibin),&
aer(ino3_a,jtotal,ibin),&
aer(icl_a,jtotal,ibin),&
vol_wet_a(ibin))
else
accom(iv) = 0.0
end if
end if
kn = 2.*freepath(iv)/dp_avg
fkn = fuchs_sutugin(kn,accom(iv))
kg(iv,ibin) = cdum*dg(iv)*fkn ! 1/s!Increased by a factor of 10000 by Manish Shrivastava to force to equilibrium
! fraceq(iv,ibin)=num_a(ibin)*dp_wet_a(ibin)/(kn/accom(iv)+1)
21 continue
if(n2o5_flag.gt.0)then
! calculate the reaction path splitting for
! heterogeneous N2O5 reactions
frac_n2o5_h2o(ibin) = split_n2o5_bert_thorn(water_a(ibin),&
aer(icl_a,jtotal,ibin),&
vol_wet_a(ibin))
else
frac_n2o5_h2o(ibin) = 0.0
end if
11 continue
else
if (iprint_mosaic_fe1 .gt. 0) then
write(6,*)'error in the choice of msize_framework'
write(6,*)'mosaic fatal error in subr. aerosolmtc'
endif
! stop
istat_mosaic_fe1 = -1900
return
endif
return
end subroutine aerosolmtc
!***********************************************************************
! calculates dry and wet aerosol properties: density, refractive indices
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine calc_dry_n_wet_aerosol_props(ibin)
use module_data_mosaic_asect
! implicit none
! include 'v33com9a'
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer jc, je, iaer, isize, itype
real(kind=8) aer_H
complex(kind=8) ri_dum
! calculate dry mass and dry volume of a bin
mass_dry_a(ibin) = 0.0 ! initialize to 0.0
vol_dry_a(ibin) = 0.0 ! initialize to 0.0
area_dry_a(ibin) = 0.0 ! initialize to 0.0
if(jaerosolstate(ibin) .ne. no_aerosol)then
aer_H = (2.*aer(iso4_a,jtotal,ibin) + &
aer(ino3_a,jtotal,ibin) + &
aer(icl_a,jtotal,ibin) + &
aer(imsa_a,jtotal,ibin) + &
2.*aer(ico3_a,jtotal,ibin))- &
(2.*aer(ica_a,jtotal,ibin) + &
aer(ina_a,jtotal,ibin) + &
aer(inh4_a,jtotal,ibin))
do iaer = 1, naer
mass_dry_a(ibin) = mass_dry_a(ibin) + &
aer(iaer,jtotal,ibin)*mw_aer_mac(iaer) ! ng/m^3(air)
vol_dry_a(ibin) = vol_dry_a(ibin) + &
aer(iaer,jtotal,ibin)*mw_aer_mac(iaer)/dens_aer_mac(iaer) ! ncc/m^3(air)
enddo
mass_dry_a(ibin) = mass_dry_a(ibin) + aer_H
vol_dry_a(ibin) = vol_dry_a(ibin) + aer_H
mass_dry_a(ibin) = mass_dry_a(ibin)*1.e-15 ! g/cc(air)
vol_dry_a(ibin) = vol_dry_a(ibin)*1.e-15 ! cc(aer)/cc(air)
! wet mass and wet volume
mass_wet_a(ibin) = mass_dry_a(ibin) + water_a(ibin)*1.e-3 ! g/cc(air)
vol_wet_a(ibin) = vol_dry_a(ibin) + water_a(ibin)*1.e-3 ! cc(aer)/cc(air)
! calculate mean dry and wet particle densities
dens_dry_a(ibin) = mass_dry_a(ibin)/vol_dry_a(ibin) ! g/cc(aerosol)
dens_wet_a(ibin) = mass_wet_a(ibin)/vol_wet_a(ibin) ! g/cc(aerosol)
! calculate mean dry and wet particle diameters
dp_dry_a(ibin)=(1.90985*vol_dry_a(ibin)/num_a(ibin))**0.3333333 ! cm
dp_wet_a(ibin)=(1.90985*vol_wet_a(ibin)/num_a(ibin))**0.3333333 ! cm
! calculate mean dry and wet particle surface areas
area_dry_a(ibin)= 3.14159*num_a(ibin)*dp_dry_a(ibin)**2 ! cm^2/cc(air)
area_wet_a(ibin)= 3.14159*num_a(ibin)*dp_wet_a(ibin)**2 ! cm^2/cc(air)
! calculate volume average refractive index
! load comp_a array
do je = 1, nelectrolyte
comp_a(je)=electrolyte(je,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
enddo
comp_a(joc) = aer(ioc_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jbc) = aer(ibc_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(join) = aer(ioin_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg1_b_c)= aer(ipcg1_b_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg2_b_c)= aer(ipcg2_b_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg3_b_c)= aer(ipcg3_b_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg4_b_c)= aer(ipcg4_b_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg5_b_c)= aer(ipcg5_b_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg6_b_c)= aer(ipcg6_b_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg7_b_c)= aer(ipcg7_b_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg8_b_c)= aer(ipcg8_b_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg9_b_c)= aer(ipcg9_b_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg1_b_c)= aer(iopcg1_b_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg2_b_c)= aer(iopcg2_b_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg3_b_c)= aer(iopcg3_b_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg4_b_c)= aer(iopcg4_b_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg5_b_c)= aer(iopcg5_b_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg6_b_c)= aer(iopcg6_b_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg7_b_c)= aer(iopcg7_b_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg8_b_c)= aer(iopcg8_b_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg1_b_o)= aer(ipcg1_b_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg2_b_o)= aer(ipcg2_b_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg3_b_o)= aer(ipcg3_b_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg4_b_o)= aer(ipcg4_b_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg5_b_o)= aer(ipcg5_b_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg6_b_o)= aer(ipcg6_b_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg7_b_o)= aer(ipcg7_b_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg8_b_o)= aer(ipcg8_b_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg9_b_o)= aer(ipcg9_b_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg1_b_o)= aer(iopcg1_b_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg2_b_o)= aer(iopcg2_b_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg3_b_o)= aer(iopcg3_b_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg4_b_o)= aer(iopcg4_b_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg5_b_o)= aer(iopcg5_b_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg6_b_o)= aer(iopcg6_b_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg7_b_o)= aer(iopcg7_b_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg8_b_o)= aer(iopcg8_b_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg1_f_c)= aer(ipcg1_f_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg2_f_c)= aer(ipcg2_f_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg3_f_c)= aer(ipcg3_f_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg4_f_c)= aer(ipcg4_f_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg5_f_c)= aer(ipcg5_f_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg6_f_c)= aer(ipcg6_f_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg7_f_c)= aer(ipcg7_f_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg8_f_c)= aer(ipcg8_f_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg9_f_c)= aer(ipcg9_f_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg1_f_c)= aer(iopcg1_f_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg2_f_c)= aer(iopcg2_f_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg3_f_c)= aer(iopcg3_f_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg4_f_c)= aer(iopcg4_f_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg5_f_c)= aer(iopcg5_f_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg6_f_c)= aer(iopcg6_f_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg7_f_c)= aer(iopcg7_f_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg8_f_c)= aer(iopcg8_f_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg1_f_o)= aer(ipcg1_f_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg2_f_o)= aer(ipcg2_f_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg3_f_o)= aer(ipcg3_f_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg4_f_o)= aer(ipcg4_f_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg5_f_o)= aer(ipcg5_f_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg6_f_o)= aer(ipcg6_f_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg7_f_o)= aer(ipcg7_f_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg8_f_o)= aer(ipcg8_f_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jpcg9_f_o)= aer(ipcg9_f_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg1_f_o)= aer(iopcg1_f_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg2_f_o)= aer(iopcg2_f_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg3_f_o)= aer(iopcg3_f_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg4_f_o)= aer(iopcg4_f_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg5_f_o)= aer(iopcg5_f_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg6_f_o)= aer(iopcg6_f_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg7_f_o)= aer(iopcg7_f_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jopcg8_f_o)= aer(iopcg8_f_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jsmpa)= aer(ismpa_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jsmpbb)= aer(ismpbb_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jglysoa_r1)= aer(iglysoa_r1_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jglysoa_r2)= aer(iglysoa_r2_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jglysoa_sfc)= aer(iglysoa_sfc_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jglysoa_nh4)= aer(iglysoa_nh4_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jglysoa_oh)= aer(iglysoa_oh_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jant1_c)= aer(iant1_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jant2_c)= aer(iant2_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jant3_c)= aer(iant3_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jant4_c)= aer(iant4_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jant1_o)= aer(iant1_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jant2_o)= aer(iant2_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jant3_o)= aer(iant3_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jant4_o)= aer(iant4_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jbiog1_c)= aer(ibiog1_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jbiog2_c)= aer(ibiog2_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jbiog3_c)= aer(ibiog3_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jbiog4_c)= aer(ibiog4_c_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jbiog1_o)= aer(ibiog1_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jbiog2_o)= aer(ibiog2_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jbiog3_o)= aer(ibiog3_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jbiog4_o)= aer(ibiog4_o_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jasoaX)= aer(iasoaX_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jasoa1)= aer(iasoa1_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jasoa2)= aer(iasoa2_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jasoa3)= aer(iasoa3_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jasoa4)= aer(iasoa4_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jbsoaX)= aer(ibsoaX_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jbsoa1)= aer(ibsoa1_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jbsoa2)= aer(ibsoa2_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jbsoa3)= aer(ibsoa3_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jbsoa4)= aer(ibsoa4_a,jtotal,ibin)*mw_comp_a(je)*1.e-15 ! g/cc(air)
comp_a(jh2o) = water_a(ibin)*1.e-3 ! g/cc(air)
ri_dum = (0.0,0.0)
do jc = 1, naercomp
if (dens_comp_a(jc).gt.0) then
ri_dum = ri_dum + ref_index_a(jc)*comp_a(jc)/dens_comp_a(jc)
endif
enddo
ri_avg_a(ibin) = ri_dum/vol_wet_a(ibin)
else ! use defaults
dens_dry_a(ibin) = 1.0 ! g/cc(aerosol)
dens_wet_a(ibin) = 1.0 ! g/cc(aerosol)
call isize_itype_from_ibin( ibin, isize, itype )
dp_dry_a(ibin) = dcen_sect(isize,itype) ! cm
dp_wet_a(ibin) = dcen_sect(isize,itype) ! cm
ri_avg_a(ibin) = (1.5,0.0)
endif
return
end subroutine calc_dry_n_wet_aerosol_props
!***********************************************************************
! computes activities
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine compute_activities(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer jp, ja
real(kind=8) xt, xmol(nelectrolyte), sum_elec, dumK, c_bal, a_c
real(kind=8) quad, aq, bq, cq, xq, dum
! function
! real(kind=8) aerosol_water
water_a(ibin) = aerosol_water(jliquid,ibin) ! kg/m^3(air)
if(water_a(ibin) .eq. 0.0)return
call calculate_xt(ibin,jliquid,xt)
if(xt.gt.2.0 .or. xt.lt.0.)then
! sulfate poor: fully dissociated electrolytes
! anion molalities (mol/kg water)
ma(ja_so4,ibin) = 1.e-9*aer(iso4_a,jliquid,ibin)/water_a(ibin)
ma(ja_hso4,ibin) = 0.0
ma(ja_no3,ibin) = 1.e-9*aer(ino3_a,jliquid,ibin)/water_a(ibin)
ma(ja_cl,ibin) = 1.e-9*aer(icl_a, jliquid,ibin)/water_a(ibin)
ma(ja_msa,ibin) = 1.e-9*aer(imsa_a,jliquid,ibin)/water_a(ibin)
! cation molalities (mol/kg water)
mc(jc_ca,ibin) = 1.e-9*aer(ica_a, jliquid,ibin)/water_a(ibin)
mc(jc_nh4,ibin) = 1.e-9*aer(inh4_a,jliquid,ibin)/water_a(ibin)
mc(jc_na,ibin) = 1.e-9*aer(ina_a, jliquid,ibin)/water_a(ibin)
a_c = ( 2.d0*ma(ja_so4,ibin)+ &
ma(ja_no3,ibin)+ &
ma(ja_cl,ibin) + &
ma(ja_msa,ibin) ) - &
( 2.d0*mc(jc_ca,ibin) + &
mc(jc_nh4,ibin)+ &
mc(jc_na,ibin) )
mc(jc_h,ibin) = 0.5*a_c + sqrt(a_c**2 + 4.*Keq_ll(3))
if(mc(jc_h,ibin) .eq. 0.0)then
mc(jc_h,ibin) = sqrt(Keq_ll(3))
endif
jp = jliquid
sum_elec = 2.*electrolyte(jnh4no3,jp,ibin) + &
2.*electrolyte(jnh4cl,jp,ibin) + &
3.*electrolyte(jnh4so4,jp,ibin) + &
3.*electrolyte(jna2so4,jp,ibin) + &
2.*electrolyte(jnano3,jp,ibin) + &
2.*electrolyte(jnacl,jp,ibin) + &
3.*electrolyte(jcano3,jp,ibin) + &
3.*electrolyte(jcacl2,jp,ibin) + &
2.*electrolyte(jhno3,jp,ibin) + &
2.*electrolyte(jhcl,jp,ibin)
if(sum_elec .eq. 0.0)then
do ja = 1, nelectrolyte
gam(ja,ibin) = 1.0
enddo
goto 10
endif
! ionic mole fractions
xmol(jnh4no3) = 2.*electrolyte(jnh4no3,jp,ibin)/sum_elec
xmol(jnh4cl) = 2.*electrolyte(jnh4cl,jp,ibin) /sum_elec
xmol(jnh4so4) = 3.*electrolyte(jnh4so4,jp,ibin)/sum_elec
xmol(jna2so4) = 3.*electrolyte(jna2so4,jp,ibin)/sum_elec
xmol(jnano3) = 2.*electrolyte(jnano3,jp,ibin) /sum_elec
xmol(jnacl) = 2.*electrolyte(jnacl,jp,ibin) /sum_elec
xmol(jcano3) = 3.*electrolyte(jcano3,jp,ibin) /sum_elec
xmol(jcacl2) = 3.*electrolyte(jcacl2,jp,ibin) /sum_elec
xmol(jhno3) = 2.*electrolyte(jhno3,jp,ibin) /sum_elec
xmol(jhcl) = 2.*electrolyte(jhcl,jp,ibin) /sum_elec
ja = jnh4so4
if(xmol(ja).gt.0.0)then
log_gam(ja) = xmol(jnh4no3)*log_gamZ(jA,jnh4no3) + &
xmol(jnh4cl) *log_gamZ(jA,jnh4cl) + &
xmol(jnh4so4)*log_gamZ(jA,jnh4so4) + &
xmol(jna2so4)*log_gamZ(jA,jna2so4) + &
xmol(jnano3) *log_gamZ(jA,jnano3) + &
xmol(jnacl) *log_gamZ(jA,jnacl) + &
xmol(jcano3) *log_gamZ(jA,jcano3) + &
xmol(jcacl2) *log_gamZ(jA,jcacl2) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
activity(jnh4so4,ibin) = mc(jc_nh4,ibin)**2*ma(ja_so4,ibin)* &
gam(jnh4so4,ibin)**3
endif
jA = jnh4no3
if(xmol(jA).gt.0.0)then
log_gam(jA) = xmol(jnh4no3)*log_gamZ(jA,jnh4no3) + &
xmol(jnh4cl) *log_gamZ(jA,jnh4cl) + &
xmol(jnh4so4)*log_gamZ(jA,jnh4so4) + &
xmol(jna2so4)*log_gamZ(jA,jna2so4) + &
xmol(jnano3) *log_gamZ(jA,jnano3) + &
xmol(jnacl) *log_gamZ(jA,jnacl) + &
xmol(jcano3) *log_gamZ(jA,jcano3) + &
xmol(jcacl2) *log_gamZ(jA,jcacl2) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
activity(jnh4no3,ibin) = mc(jc_nh4,ibin)*ma(ja_no3,ibin)* &
gam(jnh4no3,ibin)**2
endif
jA = jnh4cl
if(xmol(jA).gt.0.0)then
log_gam(jA) = xmol(jnh4no3)*log_gamZ(jA,jnh4no3) + &
xmol(jnh4cl) *log_gamZ(jA,jnh4cl) + &
xmol(jnh4so4)*log_gamZ(jA,jnh4so4) + &
xmol(jna2so4)*log_gamZ(jA,jna2so4) + &
xmol(jnano3) *log_gamZ(jA,jnano3) + &
xmol(jnacl) *log_gamZ(jA,jnacl) + &
xmol(jcano3) *log_gamZ(jA,jcano3) + &
xmol(jcacl2) *log_gamZ(jA,jcacl2) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
activity(jnh4cl,ibin) = mc(jc_nh4,ibin)*ma(ja_cl,ibin)* &
gam(jnh4cl,ibin)**2
endif
jA = jna2so4
if(xmol(jA).gt.0.0)then
log_gam(jA) = xmol(jnh4no3)*log_gamZ(jA,jnh4no3) + &
xmol(jnh4cl) *log_gamZ(jA,jnh4cl) + &
xmol(jnh4so4)*log_gamZ(jA,jnh4so4) + &
xmol(jna2so4)*log_gamZ(jA,jna2so4) + &
xmol(jnano3) *log_gamZ(jA,jnano3) + &
xmol(jnacl) *log_gamZ(jA,jnacl) + &
xmol(jcano3) *log_gamZ(jA,jcano3) + &
xmol(jcacl2) *log_gamZ(jA,jcacl2) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
activity(jna2so4,ibin) = mc(jc_na,ibin)**2*ma(ja_so4,ibin)* &
gam(jna2so4,ibin)**3
endif
jA = jnano3
if(xmol(jA).gt.0.0)then
log_gam(jA) = xmol(jnh4no3)*log_gamZ(jA,jnh4no3) + &
xmol(jnh4cl) *log_gamZ(jA,jnh4cl) + &
xmol(jnh4so4)*log_gamZ(jA,jnh4so4) + &
xmol(jna2so4)*log_gamZ(jA,jna2so4) + &
xmol(jnano3) *log_gamZ(jA,jnano3) + &
xmol(jnacl) *log_gamZ(jA,jnacl) + &
xmol(jcano3) *log_gamZ(jA,jcano3) + &
xmol(jcacl2) *log_gamZ(jA,jcacl2) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
activity(jnano3,ibin) = mc(jc_na,ibin)*ma(ja_no3,ibin)* &
gam(jnano3,ibin)**2
endif
jA = jnacl
if(xmol(jA).gt.0.0)then
log_gam(jA) = xmol(jnh4no3)*log_gamZ(jA,jnh4no3) + &
xmol(jnh4cl) *log_gamZ(jA,jnh4cl) + &
xmol(jnh4so4)*log_gamZ(jA,jnh4so4) + &
xmol(jna2so4)*log_gamZ(jA,jna2so4) + &
xmol(jnano3) *log_gamZ(jA,jnano3) + &
xmol(jnacl) *log_gamZ(jA,jnacl) + &
xmol(jcano3) *log_gamZ(jA,jcano3) + &
xmol(jcacl2) *log_gamZ(jA,jcacl2) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
activity(jnacl,ibin) = mc(jc_na,ibin)*ma(ja_cl,ibin)* &
gam(jnacl,ibin)**2
endif
! jA = jcano3
! if(xmol(jA).gt.0.0)then
! gam(jA,ibin) = 1.0
! activity(jcano3,ibin) = 1.0
! endif
! jA = jcacl2
! if(xmol(jA).gt.0.0)then
! gam(jA,ibin) = 1.0
! activity(jcacl2,ibin) = 1.0
! endif
jA = jcano3
if(xmol(jA).gt.0.0)then
log_gam(jA) = xmol(jnh4no3)*log_gamZ(jA,jnh4no3) + &
xmol(jnh4cl) *log_gamZ(jA,jnh4cl) + &
xmol(jnh4so4)*log_gamZ(jA,jnh4so4) + &
xmol(jna2so4)*log_gamZ(jA,jna2so4) + &
xmol(jnano3) *log_gamZ(jA,jnano3) + &
xmol(jnacl) *log_gamZ(jA,jnacl) + &
xmol(jcano3) *log_gamZ(jA,jcano3) + &
xmol(jcacl2) *log_gamZ(jA,jcacl2) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
activity(jcano3,ibin) = mc(jc_ca,ibin)*ma(ja_no3,ibin)**2* &
gam(jcano3,ibin)**3
endif
jA = jcacl2
if(xmol(jA).gt.0.0)then
log_gam(jA) = xmol(jnh4no3)*log_gamZ(jA,jnh4no3) + &
xmol(jnh4cl) *log_gamZ(jA,jnh4cl) + &
xmol(jnh4so4)*log_gamZ(jA,jnh4so4) + &
xmol(jna2so4)*log_gamZ(jA,jna2so4) + &
xmol(jnano3) *log_gamZ(jA,jnano3) + &
xmol(jnacl) *log_gamZ(jA,jnacl) + &
xmol(jcano3) *log_gamZ(jA,jcano3) + &
xmol(jcacl2) *log_gamZ(jA,jcacl2) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
activity(jcacl2,ibin) = mc(jc_ca,ibin)*ma(ja_cl,ibin)**2* &
gam(jcacl2,ibin)**3
endif
jA = jhno3
log_gam(jA) = xmol(jnh4no3)*log_gamZ(jA,jnh4no3) + &
xmol(jnh4cl) *log_gamZ(jA,jnh4cl) + &
xmol(jnh4so4)*log_gamZ(jA,jnh4so4) + &
xmol(jna2so4)*log_gamZ(jA,jna2so4) + &
xmol(jnano3) *log_gamZ(jA,jnano3) + &
xmol(jnacl) *log_gamZ(jA,jnacl) + &
xmol(jcano3) *log_gamZ(jA,jcano3) + &
xmol(jcacl2) *log_gamZ(jA,jcacl2) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
activity(jhno3,ibin) = mc(jc_h,ibin)*ma(ja_no3,ibin)* &
gam(jhno3,ibin)**2
jA = jhcl
log_gam(jA) = xmol(jnh4no3)*log_gamZ(jA,jnh4no3) + &
xmol(jnh4cl) *log_gamZ(jA,jnh4cl) + &
xmol(jnh4so4)*log_gamZ(jA,jnh4so4) + &
xmol(jna2so4)*log_gamZ(jA,jna2so4) + &
xmol(jnano3) *log_gamZ(jA,jnano3) + &
xmol(jnacl) *log_gamZ(jA,jnacl) + &
xmol(jcano3) *log_gamZ(jA,jcano3) + &
xmol(jcacl2) *log_gamZ(jA,jcacl2) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
activity(jhcl,ibin) = mc(jc_h,ibin)*ma(ja_cl,ibin)* &
gam(jhcl,ibin)**2
!----
10 gam(jlvcite,ibin) = 1.0
gam(jnh4hso4,ibin)= 1.0
gam(jnh4msa,ibin) = 1.0
gam(jna3hso4,ibin) = 1.0
gam(jnahso4,ibin) = 1.0
gam(jnamsa,ibin) = 1.0
gam(jcamsa2,ibin) = 1.0 ! raz-30apr07
activity(jlvcite,ibin) = 0.0
activity(jnh4hso4,ibin)= 0.0
activity(jnh4msa,ibin) = mc(jc_nh4,ibin)*ma(ja_msa,ibin)* &
gam(jnh4msa,ibin)**2
activity(jna3hso4,ibin)= 0.0
activity(jnahso4,ibin) = 0.0
activity(jnamsa,ibin) = mc(jc_na,ibin)*ma(ja_msa,ibin)* & ! raz-30apr07
gam(jnamsa,ibin)**2
activity(jcamsa2,ibin) = mc(jc_ca,ibin) * ma(ja_msa,ibin)**2 * & ! raz-30apr07
gam(jcamsa2,ibin)**3
gam_ratio(ibin) = gam(jnh4no3,ibin)**2/gam(jhno3,ibin)**2
else
! SULFATE-RICH: solve for SO4= and HSO4- ions
jp = jliquid
sum_elec = 3.*electrolyte(jh2so4,jp,ibin) + &
2.*electrolyte(jnh4hso4,jp,ibin) + &
5.*electrolyte(jlvcite,jp,ibin) + &
3.*electrolyte(jnh4so4,jp,ibin) + &
2.*electrolyte(jnahso4,jp,ibin) + &
5.*electrolyte(jna3hso4,jp,ibin) + &
3.*electrolyte(jna2so4,jp,ibin) + &
2.*electrolyte(jhno3,jp,ibin) + &
2.*electrolyte(jhcl,jp,ibin)
if(sum_elec .eq. 0.0)then
do jA = 1, nelectrolyte
gam(jA,ibin) = 1.0
enddo
goto 20
endif
xmol(jh2so4) = 3.*electrolyte(jh2so4,jp,ibin)/sum_elec
xmol(jnh4hso4)= 2.*electrolyte(jnh4hso4,jp,ibin)/sum_elec
xmol(jlvcite) = 5.*electrolyte(jlvcite,jp,ibin)/sum_elec
xmol(jnh4so4) = 3.*electrolyte(jnh4so4,jp,ibin)/sum_elec
xmol(jnahso4) = 2.*electrolyte(jnahso4,jp,ibin)/sum_elec
xmol(jna3hso4)= 5.*electrolyte(jna3hso4,jp,ibin)/sum_elec
xmol(jna2so4) = 3.*electrolyte(jna2so4,jp,ibin)/sum_elec
xmol(jhno3) = 2.*electrolyte(jhno3,jp,ibin)/sum_elec
xmol(jhcl) = 2.*electrolyte(jhcl,jp,ibin)/sum_elec
! 2H.SO4
jA = jh2so4
log_gam(jA) = xmol(jh2so4) *log_gamZ(jA,jh2so4) + &
xmol(jnh4hso4)*log_gamZ(jA,jnh4hso4)+ &
xmol(jlvcite) *log_gamZ(jA,jlvcite) + &
xmol(jnh4so4) *log_gamZ(jA,jnh4so4) + &
xmol(jnahso4) *log_gamZ(jA,jnahso4) + &
xmol(jna3hso4)*log_gamZ(jA,jna3hso4)+ &
xmol(jna2so4) *log_gamZ(jA,jna2so4) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
! H.HSO4
jA = jhhso4
log_gam(jA) = xmol(jh2so4) *log_gamZ(jA,jh2so4) + &
xmol(jnh4hso4)*log_gamZ(jA,jnh4hso4)+ &
xmol(jlvcite) *log_gamZ(jA,jlvcite) + &
xmol(jnh4so4) *log_gamZ(jA,jnh4so4) + &
xmol(jnahso4) *log_gamZ(jA,jnahso4) + &
xmol(jna3hso4)*log_gamZ(jA,jna3hso4)+ &
xmol(jna2so4) *log_gamZ(jA,jna2so4) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
! NH4HSO4
jA = jnh4hso4
log_gam(jA) = xmol(jh2so4) *log_gamZ(jA,jh2so4) + &
xmol(jnh4hso4)*log_gamZ(jA,jnh4hso4)+ &
xmol(jlvcite) *log_gamZ(jA,jlvcite) + &
xmol(jnh4so4) *log_gamZ(jA,jnh4so4) + &
xmol(jnahso4) *log_gamZ(jA,jnahso4) + &
xmol(jna3hso4)*log_gamZ(jA,jna3hso4)+ &
xmol(jna2so4) *log_gamZ(jA,jna2so4) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
! LETOVICITE
jA = jlvcite
log_gam(jA) = xmol(jh2so4) *log_gamZ(jA,jh2so4) + &
xmol(jnh4hso4)*log_gamZ(jA,jnh4hso4)+ &
xmol(jlvcite) *log_gamZ(jA,jlvcite) + &
xmol(jnh4so4) *log_gamZ(jA,jnh4so4) + &
xmol(jnahso4) *log_gamZ(jA,jnahso4) + &
xmol(jna3hso4)*log_gamZ(jA,jna3hso4)+ &
xmol(jna2so4) *log_gamZ(jA,jna2so4) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
! (NH4)2SO4
jA = jnh4so4
log_gam(jA) = xmol(jh2so4) *log_gamZ(jA,jh2so4) + &
xmol(jnh4hso4)*log_gamZ(jA,jnh4hso4)+ &
xmol(jlvcite) *log_gamZ(jA,jlvcite) + &
xmol(jnh4so4) *log_gamZ(jA,jnh4so4) + &
xmol(jnahso4) *log_gamZ(jA,jnahso4) + &
xmol(jna3hso4)*log_gamZ(jA,jna3hso4)+ &
xmol(jna2so4) *log_gamZ(jA,jna2so4) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
! NaHSO4
jA = jnahso4
log_gam(jA) = xmol(jh2so4) *log_gamZ(jA,jh2so4) + &
xmol(jnh4hso4)*log_gamZ(jA,jnh4hso4)+ &
xmol(jlvcite) *log_gamZ(jA,jlvcite) + &
xmol(jnh4so4) *log_gamZ(jA,jnh4so4) + &
xmol(jnahso4) *log_gamZ(jA,jnahso4) + &
xmol(jna3hso4)*log_gamZ(jA,jna3hso4)+ &
xmol(jna2so4) *log_gamZ(jA,jna2so4) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
! Na3H(SO4)2
jA = jna3hso4
! log_gam(jA) = xmol(jh2so4) *log_gamZ(jA,jh2so4) + &
! xmol(jnh4hso4)*log_gamZ(jA,jnh4hso4)+ &
! xmol(jlvcite) *log_gamZ(jA,jlvcite) + &
! xmol(jnh4so4) *log_gamZ(jA,jnh4so4) + &
! xmol(jnahso4) *log_gamZ(jA,jnahso4) + &
! xmol(jna3hso4)*log_gamZ(jA,jna3hso4)+ &
! xmol(jna2so4) *log_gamZ(jA,jna2so4) + &
! xmol(jhno3) *log_gamZ(jA,jhno3) + &
! xmol(jhcl) *log_gamZ(jA,jhcl)
! gam(jA,ibin) = 10.**log_gam(jA)
gam(jA,ibin) = 1.0
! Na2SO4
jA = jna2so4
log_gam(jA) = xmol(jh2so4) *log_gamZ(jA,jh2so4) + &
xmol(jnh4hso4)*log_gamZ(jA,jnh4hso4)+ &
xmol(jlvcite) *log_gamZ(jA,jlvcite) + &
xmol(jnh4so4) *log_gamZ(jA,jnh4so4) + &
xmol(jnahso4) *log_gamZ(jA,jnahso4) + &
xmol(jna3hso4)*log_gamZ(jA,jna3hso4)+ &
xmol(jna2so4) *log_gamZ(jA,jna2so4) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
! HNO3
jA = jhno3
log_gam(jA) = xmol(jh2so4) *log_gamZ(jA,jh2so4) + &
xmol(jnh4hso4)*log_gamZ(jA,jnh4hso4)+ &
xmol(jlvcite) *log_gamZ(jA,jlvcite) + &
xmol(jnh4so4) *log_gamZ(jA,jnh4so4) + &
xmol(jnahso4) *log_gamZ(jA,jnahso4) + &
xmol(jna3hso4)*log_gamZ(jA,jna3hso4)+ &
xmol(jna2so4) *log_gamZ(jA,jna2so4) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
! HCl
jA = jhcl
log_gam(jA) = xmol(jh2so4) *log_gamZ(jA,jh2so4) + &
xmol(jnh4hso4)*log_gamZ(jA,jnh4hso4)+ &
xmol(jlvcite) *log_gamZ(jA,jlvcite) + &
xmol(jnh4so4) *log_gamZ(jA,jnh4so4) + &
xmol(jnahso4) *log_gamZ(jA,jnahso4) + &
xmol(jna3hso4)*log_gamZ(jA,jna3hso4)+ &
xmol(jna2so4) *log_gamZ(jA,jna2so4) + &
xmol(jhno3) *log_gamZ(jA,jhno3) + &
xmol(jhcl) *log_gamZ(jA,jhcl)
gam(jA,ibin) = 10.**log_gam(jA)
20 gam(jnh4no3,ibin) = 1.0
gam(jnh4cl,ibin) = 1.0
gam(jnano3,ibin) = 1.0
gam(jnacl,ibin) = 1.0
gam(jcano3,ibin) = 1.0
gam(jcacl2,ibin) = 1.0
gam(jnh4msa,ibin) = 1.0
gam(jnamsa,ibin) = 1.0
gam(jcamsa2,ibin) = 1.0 ! raz-30apr07
! compute equilibrium pH
! cation molalities (mol/kg water)
mc(jc_ca,ibin) = 0.0 ! aqueous ca never exists in sulfate rich cases
mc(jc_nh4,ibin) = 1.e-9*aer(inh4_a,jliquid,ibin)/water_a(ibin)
mc(jc_na,ibin) = 1.e-9*aer(ina_a, jliquid,ibin)/water_a(ibin)
! anion molalities (mol/kg water)
mSULF = 1.e-9*aer(iso4_a,jliquid,ibin)/water_a(ibin)
ma(ja_hso4,ibin) = 0.0
ma(ja_so4,ibin) = 0.0
ma(ja_no3,ibin) = 1.e-9*aer(ino3_a,jliquid,ibin)/water_a(ibin)
ma(ja_cl,ibin) = 1.e-9*aer(icl_a, jliquid,ibin)/water_a(ibin)
ma(ja_msa,ibin) = 1.e-9*aer(imsa_a,jliquid,ibin)/water_a(ibin)
gam_ratio(ibin) = gam(jnh4hso4,ibin)**2/gam(jhhso4,ibin)**2
dumK = Keq_ll(1)*gam(jhhso4,ibin)**2/gam(jh2so4,ibin)**3
c_bal = mc(jc_nh4,ibin) + mc(jc_na,ibin) + 2.*mc(jc_ca,ibin) & ! raz-30apr07
- ma(ja_no3,ibin) - ma(ja_cl,ibin) - mSULF - ma(ja_msa,ibin)
aq = 1.0
bq = dumK + c_bal
cq = dumK*(c_bal - mSULF)
!--quadratic solution
if(bq .ne. 0.0)then
xq = 4.*(1./bq)*(cq/bq)
else
xq = 1.e+6
endif
if(abs(xq) .lt. 1.e-6)then
dum = xq*(0.5 + xq*(0.125 + xq*0.0625))
quad = (-0.5*bq/aq)*dum
if(quad .lt. 0.)then
quad = -bq/aq - quad
endif
else
quad = 0.5*(-bq+sqrt(bq*bq - 4.*cq))
endif
!--end of quadratic solution
mc(jc_h,ibin) = max(quad, 1.D-7)
ma(ja_so4,ibin) = mSULF*dumK/(mc(jc_h,ibin) + dumK)
ma(ja_hso4,ibin)= mSULF - ma(ja_so4,ibin)
activity(jcamsa2,ibin) = mc(jc_ca,ibin) * ma(ja_msa,ibin)**2 * & ! raz-30apr07
gam(jcamsa2,ibin)**3
activity(jnh4so4,ibin) = mc(jc_nh4,ibin)**2*ma(ja_so4,ibin)* &
gam(jnh4so4,ibin)**3
activity(jlvcite,ibin) = mc(jc_nh4,ibin)**3*ma(ja_hso4,ibin)* &
ma(ja_so4,ibin) * gam(jlvcite,ibin)**5
activity(jnh4hso4,ibin)= mc(jc_nh4,ibin)*ma(ja_hso4,ibin)* &
gam(jnh4hso4,ibin)**2
activity(jnh4msa,ibin) = mc(jc_nh4,ibin)*ma(ja_msa,ibin)* &
gam(jnh4msa,ibin)**2
activity(jna2so4,ibin) = mc(jc_na,ibin)**2*ma(ja_so4,ibin)* &
gam(jna2so4,ibin)**3
activity(jnahso4,ibin) = mc(jc_na,ibin)*ma(ja_hso4,ibin)* &
gam(jnahso4,ibin)**2
activity(jnamsa,ibin) = mc(jc_na,ibin)*ma(ja_msa,ibin)* &
gam(jnamsa,ibin)**2
! activity(jna3hso4,ibin)= mc(jc_na,ibin)**3*ma(ja_hso4,ibin)* &
! ma(ja_so4,ibin)*gam(jna3hso4,ibin)**5
activity(jna3hso4,ibin)= 0.0
activity(jhno3,ibin) = mc(jc_h,ibin)*ma(ja_no3,ibin)* &
gam(jhno3,ibin)**2
activity(jhcl,ibin) = mc(jc_h,ibin)*ma(ja_cl,ibin)* &
gam(jhcl,ibin)**2
activity(jmsa,ibin) = mc(jc_h,ibin)*ma(ja_msa,ibin)* &
gam(jmsa,ibin)**2
! sulfate-poor species
activity(jnh4no3,ibin) = 0.0
activity(jnh4cl,ibin) = 0.0
activity(jnano3,ibin) = 0.0
activity(jnacl,ibin) = 0.0
activity(jcano3,ibin) = 0.0
activity(jcacl2,ibin) = 0.0
endif
return
end subroutine compute_activities
!***********************************************************************
! computes mtem ternary parameters only once per transport time-step
! for a given ah2o (= rh)
!
! author: rahul a. zaveri
! update: jan 2005
! reference: zaveri, r.a., r.c. easter, and a.s. wexler,
! a new method for multicomponent activity coefficients of electrolytes
! in aqueous atmospheric aerosols, j. geophys. res., 2005.
!-----------------------------------------------------------------------
subroutine mtem_compute_log_gamz
! implicit none
! include 'mosaic.h'
! local variables
integer ja
! functions
! real(kind=8) fnlog_gamz, bin_molality
! sulfate-poor species
ja = jhno3
log_gamz(ja,jnh4so4) = fnlog_gamz(ja,jnh4so4)
log_gamz(ja,jnh4no3) = fnlog_gamz(ja,jnh4no3)
log_gamz(ja,jnh4cl) = fnlog_gamz(ja,jnh4cl)
log_gamz(ja,jna2so4) = fnlog_gamz(ja,jna2so4)
log_gamz(ja,jnano3) = fnlog_gamz(ja,jnano3)
log_gamz(ja,jnacl) = fnlog_gamz(ja,jnacl)
log_gamz(ja,jcano3) = fnlog_gamz(ja,jcano3)
log_gamz(ja,jcacl2) = fnlog_gamz(ja,jcacl2)
log_gamz(ja,jhno3) = fnlog_gamz(ja,jhno3)
log_gamz(ja,jhcl) = fnlog_gamz(ja,jhcl)
log_gamz(ja,jh2so4) = fnlog_gamz(ja,jh2so4)
log_gamz(ja,jnh4hso4)= fnlog_gamz(ja,jnh4hso4)
log_gamz(ja,jlvcite) = fnlog_gamz(ja,jlvcite)
log_gamz(ja,jnahso4) = fnlog_gamz(ja,jnahso4)
log_gamz(ja,jna3hso4)= fnlog_gamz(ja,jna3hso4)
ja = jhcl
log_gamz(ja,jnh4so4) = fnlog_gamz(ja,jnh4so4)
log_gamz(ja,jnh4no3) = fnlog_gamz(ja,jnh4no3)
log_gamz(ja,jnh4cl) = fnlog_gamz(ja,jnh4cl)
log_gamz(ja,jna2so4) = fnlog_gamz(ja,jna2so4)
log_gamz(ja,jnano3) = fnlog_gamz(ja,jnano3)
log_gamz(ja,jnacl) = fnlog_gamz(ja,jnacl)
log_gamz(ja,jcano3) = fnlog_gamz(ja,jcano3)
log_gamz(ja,jcacl2) = fnlog_gamz(ja,jcacl2)
log_gamz(ja,jhno3) = fnlog_gamz(ja,jhno3)
log_gamz(ja,jhcl) = fnlog_gamz(ja,jhcl)
log_gamz(ja,jh2so4) = fnlog_gamz(ja,jh2so4)
log_gamz(ja,jnh4hso4)= fnlog_gamz(ja,jnh4hso4)
log_gamz(ja,jlvcite) = fnlog_gamz(ja,jlvcite)
log_gamz(ja,jnahso4) = fnlog_gamz(ja,jnahso4)
log_gamz(ja,jna3hso4)= fnlog_gamz(ja,jna3hso4)
ja = jnh4so4
log_gamz(ja,jnh4so4) = fnlog_gamz(ja,jnh4so4)
log_gamz(ja,jnh4no3) = fnlog_gamz(ja,jnh4no3)
log_gamz(ja,jnh4cl) = fnlog_gamz(ja,jnh4cl)
log_gamz(ja,jna2so4) = fnlog_gamz(ja,jna2so4)
log_gamz(ja,jnano3) = fnlog_gamz(ja,jnano3)
log_gamz(ja,jnacl) = fnlog_gamz(ja,jnacl)
log_gamz(ja,jcano3) = fnlog_gamz(ja,jcano3)
log_gamz(ja,jcacl2) = fnlog_gamz(ja,jcacl2)
log_gamz(ja,jhno3) = fnlog_gamz(ja,jhno3)
log_gamz(ja,jhcl) = fnlog_gamz(ja,jhcl)
log_gamz(ja,jh2so4) = fnlog_gamz(ja,jh2so4)
log_gamz(ja,jnh4hso4)= fnlog_gamz(ja,jnh4hso4)
log_gamz(ja,jlvcite) = fnlog_gamz(ja,jlvcite)
log_gamz(ja,jnahso4) = fnlog_gamz(ja,jnahso4)
log_gamz(ja,jna3hso4)= fnlog_gamz(ja,jna3hso4)
ja = jnh4no3
log_gamz(ja,jnh4so4) = fnlog_gamz(ja,jnh4so4)
log_gamz(ja,jnh4no3) = fnlog_gamz(ja,jnh4no3)
log_gamz(ja,jnh4cl) = fnlog_gamz(ja,jnh4cl)
log_gamz(ja,jna2so4) = fnlog_gamz(ja,jna2so4)
log_gamz(ja,jnano3) = fnlog_gamz(ja,jnano3)
log_gamz(ja,jnacl) = fnlog_gamz(ja,jnacl)
log_gamz(ja,jcano3) = fnlog_gamz(ja,jcano3)
log_gamz(ja,jcacl2) = fnlog_gamz(ja,jcacl2)
log_gamz(ja,jhno3) = fnlog_gamz(ja,jhno3)
log_gamz(ja,jhcl) = fnlog_gamz(ja,jhcl)
ja = jnh4cl
log_gamz(ja,jnh4so4) = fnlog_gamz(ja,jnh4so4)
log_gamz(ja,jnh4no3) = fnlog_gamz(ja,jnh4no3)
log_gamz(ja,jnh4cl) = fnlog_gamz(ja,jnh4cl)
log_gamz(ja,jna2so4) = fnlog_gamz(ja,jna2so4)
log_gamz(ja,jnano3) = fnlog_gamz(ja,jnano3)
log_gamz(ja,jnacl) = fnlog_gamz(ja,jnacl)
log_gamz(ja,jcano3) = fnlog_gamz(ja,jcano3)
log_gamz(ja,jcacl2) = fnlog_gamz(ja,jcacl2)
log_gamz(ja,jhno3) = fnlog_gamz(ja,jhno3)
log_gamz(ja,jhcl) = fnlog_gamz(ja,jhcl)
ja = jna2so4
log_gamz(ja,jnh4so4) = fnlog_gamz(ja,jnh4so4)
log_gamz(ja,jnh4no3) = fnlog_gamz(ja,jnh4no3)
log_gamz(ja,jnh4cl) = fnlog_gamz(ja,jnh4cl)
log_gamz(ja,jna2so4) = fnlog_gamz(ja,jna2so4)
log_gamz(ja,jnano3) = fnlog_gamz(ja,jnano3)
log_gamz(ja,jnacl) = fnlog_gamz(ja,jnacl)
log_gamz(ja,jcano3) = fnlog_gamz(ja,jcano3)
log_gamz(ja,jcacl2) = fnlog_gamz(ja,jcacl2)
log_gamz(ja,jhno3) = fnlog_gamz(ja,jhno3)
log_gamz(ja,jhcl) = fnlog_gamz(ja,jhcl)
log_gamz(ja,jh2so4) = fnlog_gamz(ja,jh2so4)
log_gamz(ja,jnh4hso4)= fnlog_gamz(ja,jnh4hso4)
log_gamz(ja,jlvcite) = fnlog_gamz(ja,jlvcite)
log_gamz(ja,jnahso4) = fnlog_gamz(ja,jnahso4)
log_gamz(ja,jna3hso4)= fnlog_gamz(ja,jna3hso4)
ja = jnano3
log_gamz(ja,jnh4so4) = fnlog_gamz(ja,jnh4so4)
log_gamz(ja,jnh4no3) = fnlog_gamz(ja,jnh4no3)
log_gamz(ja,jnh4cl) = fnlog_gamz(ja,jnh4cl)
log_gamz(ja,jna2so4) = fnlog_gamz(ja,jna2so4)
log_gamz(ja,jnano3) = fnlog_gamz(ja,jnano3)
log_gamz(ja,jnacl) = fnlog_gamz(ja,jnacl)
log_gamz(ja,jcano3) = fnlog_gamz(ja,jcano3)
log_gamz(ja,jcacl2) = fnlog_gamz(ja,jcacl2)
log_gamz(ja,jhno3) = fnlog_gamz(ja,jhno3)
log_gamz(ja,jhcl) = fnlog_gamz(ja,jhcl)
ja = jnacl
log_gamz(ja,jnh4so4) = fnlog_gamz(ja,jnh4so4)
log_gamz(ja,jnh4no3) = fnlog_gamz(ja,jnh4no3)
log_gamz(ja,jnh4cl) = fnlog_gamz(ja,jnh4cl)
log_gamz(ja,jna2so4) = fnlog_gamz(ja,jna2so4)
log_gamz(ja,jnano3) = fnlog_gamz(ja,jnano3)
log_gamz(ja,jnacl) = fnlog_gamz(ja,jnacl)
log_gamz(ja,jcano3) = fnlog_gamz(ja,jcano3)
log_gamz(ja,jcacl2) = fnlog_gamz(ja,jcacl2)
log_gamz(ja,jhno3) = fnlog_gamz(ja,jhno3)
log_gamz(ja,jhcl) = fnlog_gamz(ja,jhcl)
ja = jcano3
log_gamz(ja,jnh4so4) = fnlog_gamz(ja,jnh4so4)
log_gamz(ja,jnh4no3) = fnlog_gamz(ja,jnh4no3)
log_gamz(ja,jnh4cl) = fnlog_gamz(ja,jnh4cl)
log_gamz(ja,jna2so4) = fnlog_gamz(ja,jna2so4)
log_gamz(ja,jnano3) = fnlog_gamz(ja,jnano3)
log_gamz(ja,jnacl) = fnlog_gamz(ja,jnacl)
log_gamz(ja,jcano3) = fnlog_gamz(ja,jcano3)
log_gamz(ja,jcacl2) = fnlog_gamz(ja,jcacl2)
log_gamz(ja,jhno3) = fnlog_gamz(ja,jhno3)
log_gamz(ja,jhcl) = fnlog_gamz(ja,jhcl)
ja = jcacl2
log_gamz(ja,jnh4so4) = fnlog_gamz(ja,jnh4so4)
log_gamz(ja,jnh4no3) = fnlog_gamz(ja,jnh4no3)
log_gamz(ja,jnh4cl) = fnlog_gamz(ja,jnh4cl)
log_gamz(ja,jna2so4) = fnlog_gamz(ja,jna2so4)
log_gamz(ja,jnano3) = fnlog_gamz(ja,jnano3)
log_gamz(ja,jnacl) = fnlog_gamz(ja,jnacl)
log_gamz(ja,jcano3) = fnlog_gamz(ja,jcano3)
log_gamz(ja,jcacl2) = fnlog_gamz(ja,jcacl2)
log_gamz(ja,jhno3) = fnlog_gamz(ja,jhno3)
log_gamz(ja,jhcl) = fnlog_gamz(ja,jhcl)
! sulfate-rich species
ja = jh2so4
log_gamz(ja,jh2so4) = fnlog_gamz(ja,jh2so4)
log_gamz(ja,jnh4hso4)= fnlog_gamz(ja,jnh4hso4)
log_gamz(ja,jlvcite) = fnlog_gamz(ja,jlvcite)
log_gamz(ja,jnh4so4) = fnlog_gamz(ja,jnh4so4)
log_gamz(ja,jnahso4) = fnlog_gamz(ja,jnahso4)
log_gamz(ja,jna3hso4)= fnlog_gamz(ja,jna3hso4)
log_gamz(ja,jna2so4) = fnlog_gamz(ja,jna2so4)
log_gamz(ja,jhno3) = fnlog_gamz(ja,jhno3)
log_gamz(ja,jhcl) = fnlog_gamz(ja,jhcl)
ja = jhhso4
log_gamz(ja,jh2so4) = fnlog_gamz(ja,jh2so4)
log_gamz(ja,jnh4hso4)= fnlog_gamz(ja,jnh4hso4)
log_gamz(ja,jlvcite) = fnlog_gamz(ja,jlvcite)
log_gamz(ja,jnh4so4) = fnlog_gamz(ja,jnh4so4)
log_gamz(ja,jnahso4) = fnlog_gamz(ja,jnahso4)
log_gamz(ja,jna3hso4)= fnlog_gamz(ja,jna3hso4)
log_gamz(ja,jna2so4) = fnlog_gamz(ja,jna2so4)
log_gamz(ja,jhno3) = fnlog_gamz(ja,jhno3)
log_gamz(ja,jhcl) = fnlog_gamz(ja,jhcl)
ja = jnh4hso4
log_gamz(ja,jh2so4) = fnlog_gamz(ja,jh2so4)
log_gamz(ja,jnh4hso4)= fnlog_gamz(ja,jnh4hso4)
log_gamz(ja,jlvcite) = fnlog_gamz(ja,jlvcite)
log_gamz(ja,jnh4so4) = fnlog_gamz(ja,jnh4so4)
log_gamz(ja,jnahso4) = fnlog_gamz(ja,jnahso4)
log_gamz(ja,jna3hso4)= fnlog_gamz(ja,jna3hso4)
log_gamz(ja,jna2so4) = fnlog_gamz(ja,jna2so4)
log_gamz(ja,jhno3) = fnlog_gamz(ja,jhno3)
log_gamz(ja,jhcl) = fnlog_gamz(ja,jhcl)
ja = jlvcite
log_gamz(ja,jh2so4) = fnlog_gamz(ja,jh2so4)
log_gamz(ja,jnh4hso4)= fnlog_gamz(ja,jnh4hso4)
log_gamz(ja,jlvcite) = fnlog_gamz(ja,jlvcite)
log_gamz(ja,jnh4so4) = fnlog_gamz(ja,jnh4so4)
log_gamz(ja,jnahso4) = fnlog_gamz(ja,jnahso4)
log_gamz(ja,jna3hso4)= fnlog_gamz(ja,jna3hso4)
log_gamz(ja,jna2so4) = fnlog_gamz(ja,jna2so4)
log_gamz(ja,jhno3) = fnlog_gamz(ja,jhno3)
log_gamz(ja,jhcl) = fnlog_gamz(ja,jhcl)
ja = jnahso4
log_gamz(ja,jh2so4) = fnlog_gamz(ja,jh2so4)
log_gamz(ja,jnh4hso4)= fnlog_gamz(ja,jnh4hso4)
log_gamz(ja,jlvcite) = fnlog_gamz(ja,jlvcite)
log_gamz(ja,jnh4so4) = fnlog_gamz(ja,jnh4so4)
log_gamz(ja,jnahso4) = fnlog_gamz(ja,jnahso4)
log_gamz(ja,jna3hso4)= fnlog_gamz(ja,jna3hso4)
log_gamz(ja,jna2so4) = fnlog_gamz(ja,jna2so4)
log_gamz(ja,jhno3) = fnlog_gamz(ja,jhno3)
log_gamz(ja,jhcl) = fnlog_gamz(ja,jhcl)
ja = jna3hso4
log_gamz(ja,jh2so4) = fnlog_gamz(ja,jh2so4)
log_gamz(ja,jnh4hso4)= fnlog_gamz(ja,jnh4hso4)
log_gamz(ja,jlvcite) = fnlog_gamz(ja,jlvcite)
log_gamz(ja,jnh4so4) = fnlog_gamz(ja,jnh4so4)
log_gamz(ja,jnahso4) = fnlog_gamz(ja,jnahso4)
log_gamz(ja,jna3hso4)= fnlog_gamz(ja,jna3hso4)
log_gamz(ja,jna2so4) = fnlog_gamz(ja,jna2so4)
log_gamz(ja,jhno3) = fnlog_gamz(ja,jhno3)
log_gamz(ja,jhcl) = fnlog_gamz(ja,jhcl)
return
end subroutine mtem_compute_log_gamz
!***********************************************************************
! computes sulfate ratio
!
! author: rahul a. zaveri
! update: dec 1999
!-----------------------------------------------------------------------
subroutine calculate_xt(ibin,jp,xt)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin, jp
real(kind=8) xt
if( (aer(iso4_a,jp,ibin)+aer(imsa_a,jp,ibin)) .gt.0.0)then
xt = ( aer(inh4_a,jp,ibin) + &
& aer(ina_a,jp,ibin) + &
& 2.*aer(ica_a,jp,ibin) )/ &
& (aer(iso4_a,jp,ibin)+0.5*aer(imsa_a,jp,ibin))
else
xt = -1.0
endif
return
end subroutine calculate_xt
!***********************************************************************
! computes ions from electrolytes
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine electrolytes_to_ions(jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
aer(iso4_a,jp,ibin) = electrolyte(jcaso4,jp,ibin) + &
electrolyte(jna2so4,jp,ibin) + &
2.*electrolyte(jna3hso4,jp,ibin)+ &
electrolyte(jnahso4,jp,ibin) + &
electrolyte(jnh4so4,jp,ibin) + &
2.*electrolyte(jlvcite,jp,ibin) + &
electrolyte(jnh4hso4,jp,ibin)+ &
electrolyte(jh2so4,jp,ibin)
aer(ino3_a,jp,ibin) = electrolyte(jnano3,jp,ibin) + &
2.*electrolyte(jcano3,jp,ibin) + &
electrolyte(jnh4no3,jp,ibin) + &
electrolyte(jhno3,jp,ibin)
aer(icl_a,jp,ibin) = electrolyte(jnacl,jp,ibin) + &
2.*electrolyte(jcacl2,jp,ibin) + &
electrolyte(jnh4cl,jp,ibin) + &
electrolyte(jhcl,jp,ibin)
aer(imsa_a,jp,ibin) = electrolyte(jnh4msa,jp,ibin) + &
electrolyte(jnamsa,jp,ibin) + &
2.*electrolyte(jcamsa2,jp,ibin) + &
electrolyte(jmsa,jp,ibin)
aer(ico3_a,jp,ibin) = electrolyte(jcaco3,jp,ibin)
aer(ica_a,jp,ibin) = electrolyte(jcaso4,jp,ibin) + &
electrolyte(jcano3,jp,ibin) + &
electrolyte(jcacl2,jp,ibin) + &
electrolyte(jcaco3,jp,ibin) + &
electrolyte(jcamsa2,jp,ibin)
aer(ina_a,jp,ibin) = electrolyte(jnano3,jp,ibin) + &
electrolyte(jnacl,jp,ibin) + &
2.*electrolyte(jna2so4,jp,ibin) + &
3.*electrolyte(jna3hso4,jp,ibin)+ &
electrolyte(jnahso4,jp,ibin) + &
electrolyte(jnamsa,jp,ibin)
aer(inh4_a,jp,ibin) = electrolyte(jnh4no3,jp,ibin) + &
electrolyte(jnh4cl,jp,ibin) + &
2.*electrolyte(jnh4so4,jp,ibin) + &
3.*electrolyte(jlvcite,jp,ibin) + &
electrolyte(jnh4hso4,jp,ibin)+ &
electrolyte(jnh4msa,jp,ibin)
return
end subroutine electrolytes_to_ions
!***********************************************************************
! combinatorial method for computing electrolytes from ions
!
! notes:
! - to be used for liquid-phase or total-phase only
! - transfers caso4 and caco3 from liquid to solid phase
!
! author: rahul a. zaveri (based on code provided by a.s. wexler
! update: apr 2005
!-----------------------------------------------------------------------
subroutine ions_to_electrolytes(jp,ibin,xt)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin, jp
real(kind=8) xt
! local variables
integer iaer, je, jc, ja, icase
real(kind=8) store(naer), sum_dum, sum_naza, sum_nczc, sum_na_nh4, &
f_nh4, f_na, xh, xb, xl, xs, cat_net, rem_nh4, rem_na
real(kind=8) nc(ncation), na(nanion)
if(jp .ne. jliquid)then
if (iprint_mosaic_fe1 .gt. 0) then
write(6,*)' jp must be jliquid'
write(6,*)' in ions_to_electrolytes sub'
write(6,*)' wrong jp = ', jp
write(6,*)' mosaic fatal error in ions_to_electrolytes'
endif
! stop
istat_mosaic_fe1 = -2000
return
endif
! remove negative concentrations, if any
do iaer = 1, naer
aer(iaer,jp,ibin) = max(0.0D0, aer(iaer,jp,ibin))
enddo
! first transfer caso4 from liquid to solid phase (caco3 should not be present here)
store(ica_a) = aer(ica_a, jp,ibin)
store(iso4_a) = aer(iso4_a,jp,ibin)
call form_caso4(store,jp,ibin)
if(jp .eq. jliquid)then ! transfer caso4 from liquid to solid phase
aer(ica_a,jliquid,ibin) = aer(ica_a,jliquid,ibin) - &
electrolyte(jcaso4,jliquid,ibin)
aer(iso4_a,jliquid,ibin)= aer(iso4_a,jliquid,ibin)- &
electrolyte(jcaso4,jliquid,ibin)
aer(ica_a,jsolid,ibin) = aer(ica_a,jsolid,ibin) + &
electrolyte(jcaso4,jliquid,ibin)
aer(iso4_a,jsolid,ibin) = aer(iso4_a,jsolid,ibin) + &
electrolyte(jcaso4,jliquid,ibin)
electrolyte(jcaso4,jsolid,ibin)=electrolyte(jcaso4,jsolid,ibin) &
+electrolyte(jcaso4,jliquid,ibin)
electrolyte(jcaso4,jliquid,ibin)= 0.0
endif
! calculate sulfate ratio
call calculate_xt(ibin,jp,xt)
if(xt .ge. 1.9999 .or. xt.lt.0.)then
icase = 1 ! near neutral (acidity is caused by hcl and/or hno3)
else
icase = 2 ! acidic (acidity is caused by excess so4)
endif
! initialize to zero
do je = 1, nelectrolyte
electrolyte(je,jp,ibin) = 0.0
enddo
!
!---------------------------------------------------------
! initialize moles of ions depending on the sulfate domain
if(icase.eq.1)then ! xt >= 2 : sulfate poor domain
na(ja_hso4)= 0.0
na(ja_so4) = aer(iso4_a,jp,ibin)
na(ja_no3) = aer(ino3_a,jp,ibin)
na(ja_cl) = aer(icl_a, jp,ibin)
na(ja_msa) = aer(imsa_a,jp,ibin)
nc(jc_ca) = aer(ica_a, jp,ibin)
nc(jc_na) = aer(ina_a, jp,ibin)
nc(jc_nh4) = aer(inh4_a,jp,ibin)
cat_net =&
( 2.*na(ja_so4)+na(ja_no3)+na(ja_cl)+na(ja_msa) )- &
( 2.*nc(jc_ca) +nc(jc_nh4)+nc(jc_na) )
if(cat_net .lt. 0.0)then
nc(jc_h) = 0.0
else ! cat_net must be 0.0 or positive
nc(jc_h) = cat_net
endif
! now compute equivalent fractions
sum_naza = 0.0
do ja = 1, nanion
sum_naza = sum_naza + na(ja)*za(ja)
enddo
sum_nczc = 0.0
do jc = 1, ncation
sum_nczc = sum_nczc + nc(jc)*zc(jc)
enddo
if(sum_naza .eq. 0. .or. sum_nczc .eq. 0.)then
if (iprint_mosaic_diag1 .gt. 0) then
write(6,*)'mosaic ions_to_electrolytes'
write(6,*)'ionic concentrations are zero'
write(6,*)'sum_naza = ', sum_naza
write(6,*)'sum_nczc = ', sum_nczc
endif
return
endif
do ja = 1, nanion
xeq_a(ja) = na(ja)*za(ja)/sum_naza
enddo
do jc = 1, ncation
xeq_c(jc) = nc(jc)*zc(jc)/sum_nczc
enddo
na_ma(ja_so4) = na(ja_so4) *mw_a(ja_so4)
na_ma(ja_no3) = na(ja_no3) *mw_a(ja_no3)
na_ma(ja_cl) = na(ja_cl) *mw_a(ja_cl)
na_ma(ja_msa) = na(ja_msa) *mw_a(ja_msa)
na_ma(ja_hso4)= na(ja_hso4)*mw_a(ja_hso4)
nc_mc(jc_ca) = nc(jc_ca) *mw_c(jc_ca)
nc_mc(jc_na) = nc(jc_na) *mw_c(jc_na)
nc_mc(jc_nh4) = nc(jc_nh4)*mw_c(jc_nh4)
nc_mc(jc_h) = nc(jc_h) *mw_c(jc_h)
! now compute electrolyte moles
if(xeq_c(jc_na) .gt. 0. .and. xeq_a(ja_so4) .gt. 0.)then
electrolyte(jna2so4,jp,ibin) = (xeq_c(jc_na) *na_ma(ja_so4) + &
xeq_a(ja_so4)*nc_mc(jc_na))/ &
mw_electrolyte(jna2so4)
endif
electrolyte(jnahso4,jp,ibin) = 0.0
if(xeq_c(jc_na) .gt. 0. .and. xeq_a(ja_msa) .gt. 0.)then
electrolyte(jnamsa,jp,ibin) = (xeq_c(jc_na) *na_Ma(ja_msa) + &
xeq_a(ja_msa)*nc_Mc(jc_na))/ &
mw_electrolyte(jnamsa)
endif
if(xeq_c(jc_na) .gt. 0. .and. xeq_a(ja_no3) .gt. 0.)then
electrolyte(jnano3, jp,ibin) = (xeq_c(jc_na) *na_ma(ja_no3) + &
xeq_a(ja_no3)*nc_mc(jc_na))/ &
mw_electrolyte(jnano3)
endif
if(xeq_c(jc_na) .gt. 0. .and. xeq_a(ja_cl) .gt. 0.)then
electrolyte(jnacl, jp,ibin) = (xeq_c(jc_na) *na_ma(ja_cl) + &
xeq_a(ja_cl) *nc_mc(jc_na))/ &
mw_electrolyte(jnacl)
endif
if(xeq_c(jc_nh4) .gt. 0. .and. xeq_a(ja_so4) .gt. 0.)then
electrolyte(jnh4so4,jp,ibin) = (xeq_c(jc_nh4)*na_ma(ja_so4) + &
xeq_a(ja_so4)*nc_mc(jc_nh4))/ &
mw_electrolyte(jnh4so4)
endif
electrolyte(jnh4hso4,jp,ibin)= 0.0
if(xeq_c(jc_nh4) .gt. 0. .and. xeq_a(ja_msa) .gt. 0.)then
electrolyte(jnh4msa,jp,ibin) = (xeq_c(jc_nh4)*na_Ma(ja_msa) + &
xeq_a(ja_msa)*nc_Mc(jc_nh4))/ &
mw_electrolyte(jnh4msa)
endif
if(xeq_c(jc_nh4) .gt. 0. .and. xeq_a(ja_no3) .gt. 0.)then
electrolyte(jnh4no3,jp,ibin) = (xeq_c(jc_nh4)*na_ma(ja_no3) + &
xeq_a(ja_no3)*nc_mc(jc_nh4))/ &
mw_electrolyte(jnh4no3)
endif
if(xeq_c(jc_nh4) .gt. 0. .and. xeq_a(ja_cl) .gt. 0.)then
electrolyte(jnh4cl, jp,ibin) = (xeq_c(jc_nh4)*na_ma(ja_cl) + &
xeq_a(ja_cl) *nc_mc(jc_nh4))/ &
mw_electrolyte(jnh4cl)
endif
if(xeq_c(jc_ca) .gt. 0. .and. xeq_a(ja_no3) .gt. 0.0)then
electrolyte(jcano3, jp,ibin) = (xeq_c(jc_ca) *na_ma(ja_no3) + &
xeq_a(ja_no3)*nc_mc(jc_ca))/ &
mw_electrolyte(jcano3)
endif
if(xeq_c(jc_ca) .gt. 0. .and. xeq_a(ja_cl) .gt. 0.)then
electrolyte(jcacl2, jp,ibin) = (xeq_c(jc_ca) *na_ma(ja_cl) + &
xeq_a(ja_cl) *nc_mc(jc_ca))/ &
mw_electrolyte(jcacl2)
endif
if(xeq_c(jc_ca) .gt. 0. .and. xeq_a(ja_msa) .gt. 0.)then
electrolyte(jcamsa2,jp,ibin) = (xeq_c(jc_ca) *na_Ma(ja_msa) + &
xeq_a(ja_msa) *nc_Mc(jc_ca))/ &
mw_electrolyte(jcamsa2)
endif
electrolyte(jh2so4, jp,ibin) = 0.0
if(xeq_c(jc_h) .gt. 0. .and. xeq_a(ja_no3) .gt. 0.)then
electrolyte(jhno3, jp,ibin) = (xeq_c(jc_h) *na_ma(ja_no3) + &
xeq_a(ja_no3)*nc_mc(jc_h))/ &
mw_electrolyte(jhno3)
endif
if(xeq_c(jc_h) .gt. 0. .and. xeq_a(ja_cl) .gt. 0.)then
electrolyte(jhcl, jp,ibin) = (xeq_c(jc_h) *na_ma(ja_cl) + &
xeq_a(ja_cl)*nc_mc(jc_h))/ &
mw_electrolyte(jhcl)
endif
if(xeq_c(jc_h) .gt. 0. .and. xeq_a(ja_msa) .gt. 0.)then
electrolyte(jmsa,jp,ibin) = (xeq_c(jc_h) *na_ma(ja_msa) + &
xeq_a(ja_msa)*nc_mc(jc_h))/ &
mw_electrolyte(jmsa)
endif
!--------------------------------------------------------------------
elseif(icase.eq.2)then ! xt < 2 : sulfate rich domain
store(imsa_a) = aer(imsa_a,jp,ibin)
store(ica_a) = aer(ica_a, jp,ibin)
call form_camsa2(store,jp,ibin)
sum_na_nh4 = aer(ina_a,jp,ibin) + aer(inh4_a,jp,ibin)
if(sum_na_nh4 .gt. 0.0)then
f_nh4 = aer(inh4_a,jp,ibin)/sum_na_nh4
f_na = aer(ina_a,jp,ibin)/sum_na_nh4
else
f_nh4 = 0.0
f_na = 0.0
endif
! first form msa electrolytes
if(sum_na_nh4 .gt. store(imsa_a))then
electrolyte(jnamsa,jp,ibin) = f_na *store(imsa_a)
electrolyte(jnh4msa,jp,ibin) = f_nh4*store(imsa_a)
rem_na = aer(ina_a,jp,ibin) - electrolyte(jnamsa,jp,ibin) ! remaining na
rem_nh4= aer(inh4_a,jp,ibin)- electrolyte(jnh4msa,jp,ibin) ! remaining nh4
else
electrolyte(jnamsa,jp,ibin) = aer(ina_a,jp,ibin)
electrolyte(jnh4msa,jp,ibin) = aer(inh4_a,jp,ibin)
electrolyte(jmsa,jp,ibin) = store(imsa_a) - sum_na_nh4
rem_nh4 = 0.0 ! remaining nh4
rem_na = 0.0 ! remaining na
endif
! recompute xt
if(aer(iso4_a,jp,ibin).gt.0.0)then
xt = (rem_nh4 + rem_na)/aer(iso4_a,jp,ibin)
else
goto 10
endif
if(xt .le. 1.0)then ! h2so4 + bisulfate
xh = (1.0 - xt)
xb = xt
electrolyte(jh2so4,jp,ibin) = xh*aer(iso4_a,jp,ibin)
electrolyte(jnh4hso4,jp,ibin) = xb*f_nh4*aer(iso4_a,jp,ibin)
electrolyte(jnahso4,jp,ibin) = xb*f_na *aer(iso4_a,jp,ibin)
elseif(xt .le. 1.5)then ! bisulfate + letovicite
xb = 3.0 - 2.0*xt
xl = xt - 1.0
electrolyte(jnh4hso4,jp,ibin) = xb*f_nh4*aer(iso4_a,jp,ibin)
electrolyte(jnahso4,jp,ibin) = xb*f_na *aer(iso4_a,jp,ibin)
electrolyte(jlvcite,jp,ibin) = xl*f_nh4*aer(iso4_a,jp,ibin)
electrolyte(jna3hso4,jp,ibin) = xl*f_na *aer(iso4_a,jp,ibin)
else ! letovicite + sulfate
xl = 2.0 - xt
xs = 2.0*xt - 3.0
electrolyte(jlvcite,jp,ibin) = xl*f_nh4*aer(iso4_a,jp,ibin)
electrolyte(jna3hso4,jp,ibin) = xl*f_na *aer(iso4_a,jp,ibin)
electrolyte(jnh4so4,jp,ibin) = xs*f_nh4*aer(iso4_a,jp,ibin)
electrolyte(jna2so4,jp,ibin) = xs*f_na *aer(iso4_a,jp,ibin)
endif
electrolyte(jhno3,jp,ibin) = aer(ino3_a,jp,ibin)
electrolyte(jhcl,jp,ibin) = aer(icl_a,jp,ibin)
endif
!---------------------------------------------------------
!
! calculate % composition
!! 10 sum_dum = 0.0
!! do je = 1, nelectrolyte
!! sum_dum = sum_dum + electrolyte(je,jp,ibin)
!! enddo
!!
!! if(sum_dum .eq. 0.)sum_dum = 1.0
!! electrolyte_sum(jp,ibin) = sum_dum
!!
!! do je = 1, nelectrolyte
!! epercent(je,jp,ibin) = 100.*electrolyte(je,jp,ibin)/sum_dum
!! enddo
10 return
end subroutine ions_to_electrolytes
!***********************************************************************
! conforms aerosol generic species to a valid electrolyte composition
!
! author: rahul a. zaveri
! update: june 2000
!-----------------------------------------------------------------------
subroutine conform_electrolytes(jp,ibin,xt)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin, jp
real(kind=8) xt
! local variables
integer i, ixt_case, je
real(kind=8) sum_dum, xna_prime, xnh4_prime, xt_prime
real(kind=8) store(naer)
! remove negative concentrations, if any
do i=1,naer
aer(i,jp,ibin) = max(0.0D0, aer(i,jp,ibin))
enddo
call calculate_xt(ibin,jp,xt)
if(xt .ge. 1.9999 .or. xt.lt.0.)then
ixt_case = 1 ! near neutral (acidity is caused by hcl and/or hno3)
else
ixt_case = 2 ! acidic (acidity is caused by excess so4)
endif
! initialize
!
! put total aer(*) into store(*)
store(iso4_a) = aer(iso4_a,jp,ibin)
store(ino3_a) = aer(ino3_a,jp,ibin)
store(icl_a) = aer(icl_a, jp,ibin)
store(imsa_a) = aer(imsa_a,jp,ibin)
store(ico3_a) = aer(ico3_a,jp,ibin)
store(inh4_a) = aer(inh4_a,jp,ibin)
store(ina_a) = aer(ina_a, jp,ibin)
store(ica_a) = aer(ica_a, jp,ibin)
do je=1,nelectrolyte
electrolyte(je,jp,ibin) = 0.0
enddo
!
!---------------------------------------------------------
!
if(ixt_case.eq.1)then
! xt >= 2 : sulfate deficient
call form_caso4(store,jp,ibin)
call form_camsa2(store,jp,ibin)
call form_na2so4(store,jp,ibin)
call form_namsa(store,jp,ibin)
call form_cano3(store,jp,ibin)
call form_nano3(store,jp,ibin)
call form_nacl(store,jp,ibin)
call form_cacl2(store,jp,ibin)
call form_caco3(store,jp,ibin)
call form_nh4so4(store,jp,ibin)
call form_nh4msa(store,jp,ibin)
call form_nh4no3(store,jp,ibin)
call form_nh4cl(store,jp,ibin)
call form_msa(store,jp,ibin)
call degas_hno3(store,jp,ibin)
call degas_hcl(store,jp,ibin)
call degas_nh3(store,jp,ibin)
elseif(ixt_case.eq.2)then
! xt < 2 : sulfate enough or sulfate excess
call form_caso4(store,jp,ibin)
call form_camsa2(store,jp,ibin)
call form_namsa(store,jp,ibin)
call form_nh4msa(store,jp,ibin)
call form_msa(store,jp,ibin)
if(store(iso4_a).eq.0.0)goto 10
xt_prime =(store(ina_a)+store(inh4_a))/ &
store(iso4_a)
xna_prime=0.5*store(ina_a)/store(iso4_a) + 1.
if(xt_prime.ge.xna_prime)then
call form_na2so4(store,jp,ibin)
xnh4_prime = 0.0
if(store(iso4_a).gt.1.e-15)then
xnh4_prime = store(inh4_a)/store(iso4_a)
endif
if(xnh4_prime .ge. 1.5)then
call form_nh4so4_lvcite(store,jp,ibin)
else
call form_lvcite_nh4hso4(store,jp,ibin)
endif
elseif(xt_prime.ge.1.)then
call form_nh4hso4(store,jp,ibin)
call form_na2so4_nahso4(store,jp,ibin)
elseif(xt_prime.lt.1.)then
call form_nahso4(store,jp,ibin)
call form_nh4hso4(store,jp,ibin)
call form_h2so4(store,jp,ibin)
endif
10 call degas_hno3(store,jp,ibin)
call degas_hcl(store,jp,ibin)
call degas_nh3(store,jp,ibin)
endif ! case 1, 2
! re-calculate ions to eliminate round-off errors
call electrolytes_to_ions(jp, ibin)
!---------------------------------------------------------
!
! calculate % composition
!! sum_dum = 0.0
!! do je = 1, nelectrolyte
!! electrolyte(je,jp,ibin) = max(0.D0,electrolyte(je,jp,ibin)) ! remove -ve
!! sum_dum = sum_dum + electrolyte(je,jp,ibin)
!! enddo
!! if(sum_dum .eq. 0.)sum_dum = 1.0
!! electrolyte_sum(jp,ibin) = sum_dum
!! do je = 1, nelectrolyte
!! epercent(je,jp,ibin) = 100.*electrolyte(je,jp,ibin)/sum_dum
!! enddo
return
end subroutine conform_electrolytes
!***********************************************************************
! forms electrolytes from ions
!
! author: rahul a. zaveri
! update: june 2000
!-----------------------------------------------------------------------
subroutine form_electrolytes(jp,ibin,xt)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin, jp
real(kind=8) xt
! local variables
integer i, ixt_case, j, je
real(kind=8) sum_dum, xna_prime, xnh4_prime, xt_prime
real(kind=8) store(naer)
! remove negative concentrations, if any
do i=1,naer
aer(i,jp,ibin) = max(0.0D0, aer(i,jp,ibin))
enddo
call calculate_xt(ibin,jp,xt)
if(xt .ge. 1.9999 .or. xt.lt.0.)then
ixt_case = 1 ! near neutral (acidity is caused by hcl and/or hno3)
else
ixt_case = 2 ! acidic (acidity is caused by excess so4)
endif
! initialize
!
! put total aer(*) into store(*)
store(iso4_a) = aer(iso4_a,jp,ibin)
store(ino3_a) = aer(ino3_a,jp,ibin)
store(icl_a) = aer(icl_a, jp,ibin)
store(imsa_a) = aer(imsa_a,jp,ibin)
store(ico3_a) = aer(ico3_a,jp,ibin)
store(inh4_a) = aer(inh4_a,jp,ibin)
store(ina_a) = aer(ina_a, jp,ibin)
store(ica_a) = aer(ica_a, jp,ibin)
!
do j=1,nelectrolyte
electrolyte(j,jp,ibin) = 0.0
enddo
!
!---------------------------------------------------------
!
if(ixt_case.eq.1)then
! xt >= 2 : sulfate deficient
call form_caso4(store,jp,ibin)
call form_camsa2(store,jp,ibin)
call form_na2so4(store,jp,ibin)
call form_namsa(store,jp,ibin)
call form_cano3(store,jp,ibin)
call form_nano3(store,jp,ibin)
call form_nacl(store,jp,ibin)
call form_cacl2(store,jp,ibin)
call form_caco3(store,jp,ibin)
call form_nh4so4(store,jp,ibin)
call form_nh4msa(store,jp,ibin)
call form_nh4no3(store,jp,ibin)
call form_nh4cl(store,jp,ibin)
call form_msa(store,jp,ibin)
if(jp .eq. jsolid)then
call degas_hno3(store,jp,ibin)
call degas_hcl(store,jp,ibin)
call degas_nh3(store,jp,ibin)
else
call form_hno3(store,jp,ibin)
call form_hcl(store,jp,ibin)
call degas_nh3(store,jp,ibin)
endif
elseif(ixt_case.eq.2)then
! xt < 2 : sulfate enough or sulfate excess
call form_caso4(store,jp,ibin)
call form_camsa2(store,jp,ibin)
call form_namsa(store,jp,ibin)
call form_nh4msa(store,jp,ibin)
call form_msa(store,jp,ibin)
if(store(iso4_a).eq.0.0)goto 10
xt_prime =(store(ina_a)+store(inh4_a))/ &
store(iso4_a)
xna_prime=0.5*store(ina_a)/store(iso4_a) + 1.
if(xt_prime.ge.xna_prime)then
call form_na2so4(store,jp,ibin)
xnh4_prime = 0.0
if(store(iso4_a).gt.1.e-15)then
xnh4_prime = store(inh4_a)/store(iso4_a)
endif
if(xnh4_prime .ge. 1.5)then
call form_nh4so4_lvcite(store,jp,ibin)
else
call form_lvcite_nh4hso4(store,jp,ibin)
endif
elseif(xt_prime.ge.1.)then
call form_nh4hso4(store,jp,ibin)
call form_na2so4_nahso4(store,jp,ibin)
elseif(xt_prime.lt.1.)then
call form_nahso4(store,jp,ibin)
call form_nh4hso4(store,jp,ibin)
call form_h2so4(store,jp,ibin)
endif
10 if(jp .eq. jsolid)then
call degas_hno3(store,jp,ibin)
call degas_hcl(store,jp,ibin)
call degas_nh3(store,jp,ibin)
else
call form_hno3(store,jp,ibin)
call form_hcl(store,jp,ibin)
call degas_nh3(store,jp,ibin)
endif
endif ! case 1, 2
! re-calculate ions to eliminate round-off errors
call electrolytes_to_ions(jp, ibin)
!---------------------------------------------------------
!
! calculate % composition
!! sum_dum = 0.0
!! do je = 1, nelectrolyte
!! electrolyte(je,jp,ibin) = max(0.D0,electrolyte(je,jp,ibin)) ! remove -ve
!! sum_dum = sum_dum + electrolyte(je,jp,ibin)
!! enddo
!!
!! if(sum_dum .eq. 0.)sum_dum = 1.0
!! electrolyte_sum(jp,ibin) = sum_dum
!!
!! do je = 1, nelectrolyte
!! epercent(je,jp,ibin) = 100.*electrolyte(je,jp,ibin)/sum_dum
!! enddo
return
end subroutine form_electrolytes
!***********************************************************************
! electrolyte formation subroutines
!
! author: rahul a. zaveri
! update: june 2000
!-----------------------------------------------------------------------
subroutine form_caso4(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jcaso4,jp,ibin) = min(store(ica_a),store(iso4_a))
store(ica_a) = store(ica_a) - electrolyte(jcaso4,jp,ibin)
store(iso4_a) = store(iso4_a) - electrolyte(jcaso4,jp,ibin)
store(ica_a) = max(0.D0, store(ica_a))
store(iso4_a) = max(0.D0, store(iso4_a))
return
end subroutine form_caso4
subroutine form_camsa2(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jcamsa2,jp,ibin) = min(store(ica_a),0.5*store(imsa_a))
store(ica_a) = store(ica_a) - electrolyte(jcamsa2,jp,ibin)
store(imsa_a) = store(imsa_a) - 2.d0*electrolyte(jcamsa2,jp,ibin)
store(ica_a) = max(0.D0, store(ica_a))
store(imsa_a) = max(0.D0, store(imsa_a))
return
end subroutine form_camsa2
subroutine form_cano3(store,jp,ibin) ! ca(no3)2
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jcano3,jp,ibin) = min(store(ica_a),0.5*store(ino3_a))
store(ica_a) = store(ica_a) - electrolyte(jcano3,jp,ibin)
store(ino3_a) = store(ino3_a) - 2.*electrolyte(jcano3,jp,ibin)
store(ica_a) = max(0.D0, store(ica_a))
store(ino3_a) = max(0.D0, store(ino3_a))
return
end subroutine form_cano3
subroutine form_cacl2(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jcacl2,jp,ibin) = min(store(ica_a),0.5*store(icl_a))
store(ica_a) = store(ica_a) - electrolyte(jcacl2,jp,ibin)
store(icl_a) = store(icl_a) - 2.*electrolyte(jcacl2,jp,ibin)
store(ica_a) = max(0.D0, store(ica_a))
store(icl_a) = max(0.D0, store(icl_a))
return
end subroutine form_cacl2
subroutine form_caco3(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
if(jp.eq.jtotal .or. jp.eq.jsolid)then
electrolyte(jcaco3,jp,ibin) = store(ica_a)
aer(ico3_a,jp,ibin)= electrolyte(jcaco3,jp,ibin) ! force co3 = caco3
store(ica_a) = 0.0
store(ico3_a)= 0.0
endif
return
end subroutine form_caco3
subroutine form_na2so4(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jna2so4,jp,ibin) = min(.5*store(ina_a), &
store(iso4_a))
store(ina_a) = store(ina_a) - 2.*electrolyte(jna2so4,jp,ibin)
store(iso4_a)= store(iso4_a) - electrolyte(jna2so4,jp,ibin)
store(ina_a) = max(0.D0, store(ina_a))
store(iso4_a)= max(0.D0, store(iso4_a))
return
end subroutine form_na2so4
subroutine form_nahso4(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jnahso4,jp,ibin) = min(store(ina_a), &
store(iso4_a))
store(ina_a) = store(ina_a) - electrolyte(jnahso4,jp,ibin)
store(iso4_a) = store(iso4_a) - electrolyte(jnahso4,jp,ibin)
store(ina_a) = max(0.D0, store(ina_a))
store(iso4_a) = max(0.D0, store(iso4_a))
return
end subroutine form_nahso4
subroutine form_namsa(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jnamsa,jp,ibin) = min(store(ina_a), &
store(imsa_a))
store(ina_a) = store(ina_a) - electrolyte(jnamsa,jp,ibin)
store(imsa_a) = store(imsa_a) - electrolyte(jnamsa,jp,ibin)
store(ina_a) = max(0.D0, store(ina_a))
store(imsa_a) = max(0.D0, store(imsa_a))
return
end subroutine form_namsa
subroutine form_nano3(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jnano3,jp,ibin)=min(store(ina_a),store(ino3_a))
store(ina_a) = store(ina_a) - electrolyte(jnano3,jp,ibin)
store(ino3_a) = store(ino3_a) - electrolyte(jnano3,jp,ibin)
store(ina_a) = max(0.D0, store(ina_a))
store(ino3_a) = max(0.D0, store(ino3_a))
return
end subroutine form_nano3
subroutine form_nacl(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jnacl,jp,ibin) = store(ina_a)
store(ina_a) = 0.0
store(icl_a) = store(icl_a) - electrolyte(jnacl,jp,ibin)
if(store(icl_a) .lt. 0.)then ! cl deficit in aerosol. take some from gas
aer(icl_a,jp,ibin)= aer(icl_a,jp,ibin)- store(icl_a) ! update aer(icl_a)
if(jp .ne. jtotal)then
aer(icl_a,jtotal,ibin)= aer(icl_a,jliquid,ibin)+ & ! update for jtotal
aer(icl_a,jsolid,ibin)
endif
gas(ihcl_g) = gas(ihcl_g) + store(icl_a) ! update gas(ihcl_g)
if(gas(ihcl_g) .lt. 0.0)then
total_species(ihcl_g) = total_species(ihcl_g) - gas(ihcl_g) ! update total_species
tot_cl_in = tot_cl_in - gas(ihcl_g) ! update tot_cl_in
endif
gas(ihcl_g) = max(0.D0, gas(ihcl_g)) ! restrict gas(ihcl_g) to >= 0.
store(icl_a) = 0. ! force store(icl_a) to 0.
endif
store(icl_a) = max(0.D0, store(icl_a))
return
end subroutine form_nacl
subroutine form_nh4so4(store,jp,ibin) ! (nh4)2so4
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jnh4so4,jp,ibin)= min(.5*store(inh4_a), &
store(iso4_a))
store(inh4_a)= store(inh4_a) - 2.*electrolyte(jnh4so4,jp,ibin)
store(iso4_a)= store(iso4_a) - electrolyte(jnh4so4,jp,ibin)
store(inh4_a) = max(0.D0, store(inh4_a))
store(iso4_a) = max(0.D0, store(iso4_a))
return
end subroutine form_nh4so4
subroutine form_nh4hso4(store,jp,ibin) ! nh4hso4
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jnh4hso4,jp,ibin) = min(store(inh4_a), &
store(iso4_a))
store(inh4_a)= store(inh4_a) - electrolyte(jnh4hso4,jp,ibin)
store(iso4_a)= store(iso4_a) - electrolyte(jnh4hso4,jp,ibin)
store(inh4_a) = max(0.D0, store(inh4_a))
store(iso4_a) = max(0.D0, store(iso4_a))
return
end subroutine form_nh4hso4
subroutine form_nh4msa(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jnh4msa,jp,ibin) = min(store(inh4_a), &
store(imsa_a))
store(inh4_a) = store(inh4_a) - electrolyte(jnh4msa,jp,ibin)
store(imsa_a) = store(imsa_a) - electrolyte(jnh4msa,jp,ibin)
store(inh4_a) = max(0.D0, store(inh4_a))
store(imsa_a) = max(0.D0, store(imsa_a))
return
end subroutine form_nh4msa
subroutine form_nh4cl(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jnh4cl,jp,ibin) = min(store(inh4_a), &
store(icl_a))
store(inh4_a) = store(inh4_a) - electrolyte(jnh4cl,jp,ibin)
store(icl_a) = store(icl_a) - electrolyte(jnh4cl,jp,ibin)
store(inh4_a) = max(0.D0, store(inh4_a))
store(icl_a) = max(0.D0, store(icl_a))
return
end subroutine form_nh4cl
subroutine form_nh4no3(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jnh4no3,jp,ibin) = min(store(inh4_a), &
store(ino3_a))
store(inh4_a) = store(inh4_a) - electrolyte(jnh4no3,jp,ibin)
store(ino3_a) = store(ino3_a) - electrolyte(jnh4no3,jp,ibin)
store(inh4_a) = max(0.D0, store(inh4_a))
store(ino3_a) = max(0.D0, store(ino3_a))
return
end subroutine form_nh4no3
subroutine form_nh4so4_lvcite(store,jp,ibin) ! (nh4)2so4 + (nh4)3h(so4)2
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jnh4so4,jp,ibin)= 2.*store(inh4_a) - 3.*store(iso4_a)
electrolyte(jlvcite,jp,ibin)= 2.*store(iso4_a) - store(inh4_a)
electrolyte(jnh4so4,jp,ibin)= max(0.D0, &
electrolyte(jnh4so4,jp,ibin))
electrolyte(jlvcite,jp,ibin)= max(0.D0, &
electrolyte(jlvcite,jp,ibin))
store(inh4_a) = 0.
store(iso4_a) = 0.
return
end subroutine form_nh4so4_lvcite
subroutine form_lvcite_nh4hso4(store,jp,ibin) ! (nh4)3h(so4)2 + nh4hso4
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jlvcite,jp,ibin) = store(inh4_a) - store(iso4_a)
electrolyte(jnh4hso4,jp,ibin)= 3.*store(iso4_a) - 2.*store(inh4_a)
electrolyte(jlvcite,jp,ibin) = max(0.D0, &
electrolyte(jlvcite,jp,ibin))
electrolyte(jnh4hso4,jp,ibin)= max(0.D0, &
electrolyte(jnh4hso4,jp,ibin))
store(inh4_a) = 0.
store(iso4_a) = 0.
return
end subroutine form_lvcite_nh4hso4
subroutine form_na2so4_nahso4(store,jp,ibin) ! na2so4 + nahso4
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jna2so4,jp,ibin)= store(ina_a) - store(iso4_a)
electrolyte(jnahso4,jp,ibin)= 2.*store(iso4_a) - store(ina_a)
electrolyte(jna2so4,jp,ibin)= max(0.D0, &
electrolyte(jna2so4,jp,ibin))
electrolyte(jnahso4,jp,ibin)= max(0.D0, &
electrolyte(jnahso4,jp,ibin))
store(ina_a) = 0.
store(iso4_a) = 0.
! write(6,*)'na2so4 + nahso4'
return
end subroutine form_na2so4_nahso4
subroutine form_h2so4(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jh2so4,jp,ibin) = max(0.0D0, store(iso4_a))
store(iso4_a) = 0.0
return
end subroutine form_h2so4
subroutine form_msa(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jmsa,jp,ibin) = max(0.0D0, store(imsa_a))
store(imsa_a) = 0.0
return
end subroutine form_msa
subroutine form_hno3(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jhno3,jp,ibin) = max(0.0D0, store(ino3_a))
store(ino3_a) = 0.0
return
end subroutine form_hno3
subroutine form_hcl(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
electrolyte(jhcl,jp,ibin) = max(0.0D0, store(icl_a))
store(icl_a) = 0.0
return
end subroutine form_hcl
subroutine degas_hno3(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
store(ino3_a) = max(0.0D0, store(ino3_a))
gas(ihno3_g) = gas(ihno3_g) + store(ino3_a)
aer(ino3_a,jp,ibin) = aer(ino3_a,jp,ibin) - store(ino3_a)
aer(ino3_a,jp,ibin) = max(0.0D0,aer(ino3_a,jp,ibin))
! also do it for jtotal
if(jp .ne. jtotal)then
aer(ino3_a,jtotal,ibin) = aer(ino3_a,jsolid, ibin) + &
aer(ino3_a,jliquid,ibin)
endif
electrolyte(jhno3,jp,ibin) = 0.0
store(ino3_a) = 0.0
return
end subroutine degas_hno3
subroutine degas_hcl(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
store(icl_a) = max(0.0D0, store(icl_a))
gas(ihcl_g) = gas(ihcl_g) + store(icl_a)
aer(icl_a,jp,ibin) = aer(icl_a,jp,ibin) - store(icl_a)
aer(icl_a,jp,ibin) = max(0.0D0,aer(icl_a,jp,ibin))
! also do it for jtotal
if(jp .ne. jtotal)then
aer(icl_a,jtotal,ibin) = aer(icl_a,jsolid, ibin) + &
aer(icl_a,jliquid,ibin)
endif
electrolyte(jhcl,jp,ibin) = 0.0
store(icl_a) = 0.0
return
end subroutine degas_hcl
subroutine degas_nh3(store,jp,ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) store(naer)
store(inh4_a) = max(0.0D0, store(inh4_a))
gas(inh3_g) = gas(inh3_g) + store(inh4_a)
aer(inh4_a,jp,ibin) = aer(inh4_a,jp,ibin) - store(inh4_a)
aer(inh4_a,jp,ibin) = max(0.0D0,aer(inh4_a,jp,ibin))
! also do it for jtotal
if(jp .ne. jtotal)then
aer(inh4_a,jtotal,ibin)= aer(inh4_a,jsolid, ibin) + &
aer(inh4_a,jliquid,ibin)
endif
store(inh4_a) = 0.0
return
end subroutine degas_nh3
subroutine degas_acids(jp,ibin,xt)
! implicit none
! include 'mosaic.h'
! subr arguments
integer jp, ibin
real(kind=8) xt
! local variables
real(kind=8) ehno3, ehcl
if(jp .ne. jliquid)then
if (iprint_mosaic_diag1 .gt. 0) then
write(6,*)'mosaic - error in degas_acids'
write(6,*)'wrong jp'
endif
endif
ehno3 = electrolyte(jhno3,jp,ibin)
ehcl = electrolyte(jhcl,jp,ibin)
! add to gas
gas(ihno3_g) = gas(ihno3_g) + ehno3
gas(ihcl_g) = gas(ihcl_g) + ehcl
! remove from aer
aer(ino3_a,jp,ibin) = aer(ino3_a,jp,ibin) - ehno3
aer(icl_a, jp,ibin) = aer(icl_a, jp,ibin) - ehcl
! update jtotal
aer(ino3_a,jtotal,ibin) = aer(ino3_a,jliquid,ibin) + &
aer(ino3_a,jsolid, ibin)
aer(icl_a,jtotal,ibin) = aer(icl_a,jliquid,ibin) + &
aer(icl_a,jsolid, ibin)
electrolyte(jhno3,jp,ibin) = 0.0
electrolyte(jhcl,jp,ibin) = 0.0
return
end subroutine degas_acids
!***********************************************************************
! subroutines to evaporate solid volatile species
!
! author: rahul a. zaveri
! update: sep 2004
!-----------------------------------------------------------------------
!
! nh4no3 (solid)
subroutine degas_solid_nh4no3(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer jp
real(kind=8) a, b, c, xgas, xt
! real(kind=8) quadratic ! mosaic func
jp = jsolid
a = 1.0
b = gas(inh3_g) + gas(ihno3_g)
c = gas(inh3_g)*gas(ihno3_g) - keq_sg(1)
xgas = quadratic(a,b,c)
if(xgas .ge. electrolyte(jnh4no3,jp,ibin))then ! degas all nh4no3
gas(inh3_g) = gas(inh3_g) + electrolyte(jnh4no3,jp,ibin)
gas(ihno3_g)= gas(ihno3_g) + electrolyte(jnh4no3,jp,ibin)
aer(inh4_a,jp,ibin) = aer(inh4_a,jp,ibin) - &
electrolyte(jnh4no3,jp,ibin)
aer(ino3_a,jp,ibin) = aer(ino3_a,jp,ibin) - &
electrolyte(jnh4no3,jp,ibin)
else ! degas only xgas amount of nh4no3
gas(inh3_g) = gas(inh3_g) + xgas
gas(ihno3_g)= gas(ihno3_g) + xgas
aer(inh4_a,jp,ibin) = aer(inh4_a,jp,ibin) - xgas
aer(ino3_a,jp,ibin) = aer(ino3_a,jp,ibin) - xgas
endif
! update jtotal
aer(inh4_a,jtotal,ibin) = aer(inh4_a,jsolid,ibin) + &
aer(inh4_a,jliquid,ibin)
aer(ino3_a,jtotal,ibin) = aer(ino3_a,jsolid,ibin) + &
aer(ino3_a,jliquid,ibin)
return
end subroutine degas_solid_nh4no3
! nh4cl (solid)
subroutine degas_solid_nh4cl(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
integer jp
real(kind=8) a, b, c, xgas, xt
! real(kind=8) quadratic ! mosaic func
jp = jsolid
a = 1.0
b = gas(inh3_g) + gas(ihcl_g)
c = gas(inh3_g)*gas(ihcl_g) - keq_sg(2)
xgas = quadratic(a,b,c)
if(xgas .ge. electrolyte(jnh4cl,jp,ibin))then ! degas all nh4cl
gas(inh3_g) = gas(inh3_g) + electrolyte(jnh4cl,jp,ibin)
gas(ihcl_g) = gas(ihcl_g) + electrolyte(jnh4cl,jp,ibin)
aer(inh4_a,jp,ibin) = aer(inh4_a,jp,ibin) - &
electrolyte(jnh4cl,jp,ibin)
aer(icl_a,jp,ibin) = aer(icl_a,jp,ibin) - &
electrolyte(jnh4cl,jp,ibin)
else ! degas only xgas amount of nh4cl
gas(inh3_g) = gas(inh3_g) + xgas
gas(ihcl_g) = gas(ihcl_g) + xgas
aer(inh4_a,jp,ibin) = aer(inh4_a,jp,ibin) - xgas
aer(icl_a,jp,ibin) = aer(icl_a,jp,ibin) - xgas
endif
! update jtotal
aer(inh4_a,jtotal,ibin) = aer(inh4_a,jsolid,ibin) + &
aer(inh4_a,jliquid,ibin)
aer(icl_a,jtotal,ibin) = aer(icl_a,jsolid,ibin) + &
aer(icl_a,jliquid,ibin)
return
end subroutine degas_solid_nh4cl
!***********************************************************************
! subroutines to absorb and degas small amounts of volatile species
!
! author: rahul a. zaveri
! update: jun 2002
!-----------------------------------------------------------------------
!
! nh4no3 (liquid)
subroutine absorb_tiny_nh4no3(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
real(kind=8) small_aer, small_gas, small_amt
integer je ! raz update 11/13/2008
electrolyte_sum(jtotal,ibin) = 0.0 ! raz update 11/13/2008
do je = 1, nelectrolyte
electrolyte_sum(jtotal,ibin) = electrolyte_sum(jtotal,ibin) + &
electrolyte(je,jtotal,ibin)
enddo
small_gas = 0.01 * min(gas(inh3_g), gas(ihno3_g))
small_aer = 0.01 * electrolyte_sum(jtotal,ibin)
if(small_aer .eq. 0.0)small_aer = small_gas
small_amt = min(small_gas, small_aer)
aer(inh4_a,jliquid,ibin) = aer(inh4_a,jliquid,ibin) + small_amt
aer(ino3_a,jliquid,ibin) = aer(ino3_a,jliquid,ibin) + small_amt
! update jtotal
aer(inh4_a,jtotal,ibin) = aer(inh4_a,jsolid,ibin) + &
aer(inh4_a,jliquid,ibin)
aer(ino3_a,jtotal,ibin) = aer(ino3_a,jsolid,ibin) + &
aer(ino3_a,jliquid,ibin)
! update gas
gas(inh3_g) = gas(inh3_g) - small_amt
gas(ihno3_g) = gas(ihno3_g) - small_amt
return
end subroutine absorb_tiny_nh4no3
!--------------------------------------------------------------------
! nh4cl (liquid)
subroutine absorb_tiny_nh4cl(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
real(kind=8) small_aer, small_gas, small_amt
integer je ! raz update 11/13/2008
electrolyte_sum(jtotal,ibin) = 0.0 ! raz update 11/13/2008
do je = 1, nelectrolyte
electrolyte_sum(jtotal,ibin) = electrolyte_sum(jtotal,ibin) + &
electrolyte(je,jtotal,ibin)
enddo
small_gas = 0.01 * min(gas(inh3_g), gas(ihcl_g))
small_aer = 0.01 * electrolyte_sum(jtotal,ibin)
if(small_aer .eq. 0.0)small_aer = small_gas
small_amt = min(small_gas, small_aer)
aer(inh4_a,jliquid,ibin) = aer(inh4_a,jliquid,ibin) + small_amt
aer(icl_a,jliquid,ibin) = aer(icl_a,jliquid,ibin) + small_amt
! update jtotal
aer(inh4_a,jtotal,ibin) = aer(inh4_a,jsolid,ibin) + &
aer(inh4_a,jliquid,ibin)
aer(icl_a,jtotal,ibin) = aer(icl_a,jsolid,ibin) + &
aer(icl_a,jliquid,ibin)
! update gas
gas(inh3_g) = gas(inh3_g) - small_amt
gas(ihcl_g) = gas(ihcl_g) - small_amt
return
end subroutine absorb_tiny_nh4cl
!--------------------------------------------------------------
! nh4no3 (liquid)
subroutine degas_tiny_nh4no3(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
real(kind=8) small_amt
small_amt = 0.01 * electrolyte(jnh4no3,jliquid,ibin)
aer(inh4_a,jliquid,ibin) = aer(inh4_a,jliquid,ibin) - small_amt
aer(ino3_a,jliquid,ibin) = aer(ino3_a,jliquid,ibin) - small_amt
! update jtotal
aer(inh4_a,jtotal,ibin) = aer(inh4_a,jsolid,ibin) + &
aer(inh4_a,jliquid,ibin)
aer(ino3_a,jtotal,ibin) = aer(ino3_a,jsolid,ibin) + &
aer(ino3_a,jliquid,ibin)
! update gas
gas(inh3_g) = gas(inh3_g) + small_amt
gas(ihno3_g) = gas(ihno3_g) + small_amt
return
end subroutine degas_tiny_nh4no3
!--------------------------------------------------------------------
! liquid nh4cl (liquid)
subroutine degas_tiny_nh4cl(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
real(kind=8) small_amt
small_amt = 0.01 * electrolyte(jnh4cl,jliquid,ibin)
aer(inh4_a,jliquid,ibin) = aer(inh4_a,jliquid,ibin) - small_amt
aer(icl_a,jliquid,ibin) = aer(icl_a,jliquid,ibin) - small_amt
! update jtotal
aer(inh4_a,jtotal,ibin) = aer(inh4_a,jsolid,ibin) + &
aer(inh4_a,jliquid,ibin)
aer(icl_a,jtotal,ibin) = aer(icl_a,jsolid,ibin) + &
aer(icl_a,jliquid,ibin)
! update gas
gas(inh3_g) = gas(inh3_g) + small_amt
gas(ihcl_g) = gas(ihcl_g) + small_amt
return
end subroutine degas_tiny_nh4cl
!--------------------------------------------------------------------
! hcl (liquid)
subroutine absorb_tiny_hcl(ibin) ! and degas tiny hno3
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
real(kind=8) small_aer, small_amt, small_gas
small_gas = 0.01 * gas(ihcl_g)
small_aer = 0.01 * aer(ino3_a,jliquid,ibin)
small_amt = min(small_gas, small_aer)
! absorb tiny hcl
aer(icl_a,jliquid,ibin)= aer(icl_a,jliquid,ibin) + small_amt
aer(icl_a,jtotal,ibin) = aer(icl_a,jsolid,ibin) + &
aer(icl_a,jliquid,ibin)
gas(ihcl_g) = gas(ihcl_g) - small_amt
! degas tiny hno3
aer(ino3_a,jliquid,ibin) = aer(ino3_a,jliquid,ibin) - small_amt
aer(ino3_a,jtotal,ibin) = aer(ino3_a,jsolid,ibin) + &
aer(ino3_a,jliquid,ibin)
! update gas
gas(ihno3_g) = gas(ihno3_g) + small_amt
return
end subroutine absorb_tiny_hcl
!--------------------------------------------------------------------
! hno3 (liquid)
subroutine absorb_tiny_hno3(ibin) ! and degas tiny hcl
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
real(kind=8) small_aer, small_amt, small_gas
small_gas = 0.01 * gas(ihno3_g)
small_aer = 0.01 * aer(icl_a,jliquid,ibin)
small_amt = min(small_gas, small_aer)
! absorb tiny hno3
aer(ino3_a,jliquid,ibin) = aer(ino3_a,jliquid,ibin) + small_amt
aer(ino3_a,jtotal,ibin) = aer(ino3_a,jsolid,ibin) + &
aer(ino3_a,jliquid,ibin)
gas(ihno3_g) = gas(ihno3_g) - small_amt
! degas tiny hcl
aer(icl_a,jliquid,ibin) = aer(icl_a,jliquid,ibin) - small_amt
aer(icl_a,jtotal,ibin) = aer(icl_a,jsolid,ibin) + &
aer(icl_a,jliquid,ibin)
! update gas
gas(ihcl_g) = gas(ihcl_g) + small_amt
return
end subroutine absorb_tiny_hno3
!***********************************************************************
! subroutines to equilibrate volatile acids
!
! author: rahul a. zaveri
! update: may 2002
!-----------------------------------------------------------------------
subroutine equilibrate_acids(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
if(gas(ihcl_g)*gas(ihno3_g) .gt. 0.)then
call equilibrate_hcl_and_hno3(ibin)
elseif(gas(ihcl_g) .gt. 0.)then
call equilibrate_hcl(ibin)
elseif(gas(ihno3_g) .gt. 0.)then
call equilibrate_hno3(ibin)
endif
return
end subroutine equilibrate_acids
! only hcl
subroutine equilibrate_hcl(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
real(kind=8) a, aerh, aerhso4, aerso4, b, c, dum, kdash_hcl, mh, tcl, &
w, xt, z
! real(kind=8) quadratic ! mosaic func
aerso4 = ma(ja_so4,ibin)*water_a(ibin)*1.e+9
aerhso4= ma(ja_hso4,ibin)*water_a(ibin)*1.e+9
tcl = aer(icl_a,jliquid,ibin) + gas(ihcl_g) ! nmol/m^3(air)
kdash_hcl = keq_gl(4)*1.e+18/gam(jhcl,ibin)**2 ! (nmol^2/kg^2)/(nmol/m^3(air))
z = ( aer(ina_a, jliquid,ibin) + & ! nmol/m^3(air)
aer(inh4_a,jliquid,ibin) + &
2.*aer(ica_a, jliquid,ibin) ) - &
(2.*aerso4 + &
aerhso4 + &
aer(ino3_a,jliquid,ibin) )
w = water_a(ibin) ! kg/m^3(air)
kdash_hcl = keq_gl(4)*1.e+18/gam(jhcl,ibin)**2 ! (nmol^2/kg^2)/(nmol/m^3(air))
a = 1.0
b = (kdash_hcl*w + z/w)*1.e-9
c = kdash_hcl*(z - tcl)*1.e-18
dum = b*b - 4.*a*c
if (dum .lt. 0.) return ! no real root
if(c .lt. 0.)then
mh = quadratic(a,b,c) ! mol/kg(water)
aerh = mh*w*1.e+9
aer(icl_a,jliquid,ibin) = aerh + z
else
mh = sqrt(keq_ll(3))
endif
call form_electrolytes(jliquid,ibin,xt)
! update gas phase concentration
gas(ihcl_g) = tcl - aer(icl_a,jliquid,ibin)
! update the following molalities
ma(ja_so4,ibin) = 1.e-9*aerso4/water_a(ibin)
ma(ja_hso4,ibin) = 1.e-9*aerhso4/water_a(ibin)
ma(ja_no3,ibin) = 1.e-9*aer(ino3_a,jliquid,ibin)/water_a(ibin)
ma(ja_cl,ibin) = 1.e-9*aer(icl_a, jliquid,ibin)/water_a(ibin)
mc(jc_h,ibin) = mh
mc(jc_ca,ibin) = 1.e-9*aer(ica_a, jliquid,ibin)/water_a(ibin)
mc(jc_nh4,ibin) = 1.e-9*aer(inh4_a,jliquid,ibin)/water_a(ibin)
mc(jc_na,ibin) = 1.e-9*aer(ina_a, jliquid,ibin)/water_a(ibin)
! update the following activities
activity(jhcl,ibin) = mc(jc_h,ibin) *ma(ja_cl,ibin) * &
gam(jhcl,ibin)**2
activity(jhno3,ibin) = mc(jc_h,ibin) *ma(ja_no3,ibin) * &
gam(jhno3,ibin)**2
activity(jnh4cl,ibin) = mc(jc_nh4,ibin)*ma(ja_cl,ibin) * &
gam(jnh4cl,ibin)**2
! also update xyz(jtotal)
aer(icl_a,jtotal,ibin) = aer(icl_a,jliquid,ibin) + &
aer(icl_a,jsolid,ibin)
electrolyte(jhcl,jtotal,ibin) = electrolyte(jhcl,jliquid,ibin)
return
end subroutine equilibrate_hcl
! only hno3
subroutine equilibrate_hno3(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
real(kind=8) a, aerh, aerhso4, aerso4, b, c, dum, kdash_hno3, mh, &
tno3, w, xt, z
! real(kind=8) quadratic ! mosaic func
aerso4 = ma(ja_so4,ibin)*water_a(ibin)*1.e+9
aerhso4= ma(ja_hso4,ibin)*water_a(ibin)*1.e+9
tno3 = aer(ino3_a,jliquid,ibin) + gas(ihno3_g) ! nmol/m^3(air)
kdash_hno3 = keq_gl(3)*1.e+18/gam(jhno3,ibin)**2 ! (nmol^2/kg^2)/(nmol/m^3(air))
z = ( aer(ina_a, jliquid,ibin) + & ! nmol/m^3(air)
aer(inh4_a,jliquid,ibin) + &
2.*aer(ica_a, jliquid,ibin) ) - &
(2.*aerso4 + &
aerhso4 + &
aer(icl_a,jliquid,ibin) )
w = water_a(ibin) ! kg/m^3(air)
kdash_hno3 = keq_gl(3)*1.e+18/gam(jhno3,ibin)**2 ! (nmol^2/kg^2)/(nmol/m^3(air))
a = 1.0
b = (kdash_hno3*w + z/w)*1.e-9
c = kdash_hno3*(z - tno3)*1.e-18
dum = b*b - 4.*a*c
if (dum .lt. 0.) return ! no real root
if(c .lt. 0.)then
mh = quadratic(a,b,c) ! mol/kg(water)
aerh = mh*w*1.e+9
aer(ino3_a,jliquid,ibin) = aerh + z
else
mh = sqrt(keq_ll(3))
endif
call form_electrolytes(jliquid,ibin,xt)
! update gas phase concentration
gas(ihno3_g)= tno3 - aer(ino3_a,jliquid,ibin)
! update the following molalities
ma(ja_so4,ibin) = 1.e-9*aerso4/water_a(ibin)
ma(ja_hso4,ibin) = 1.e-9*aerhso4/water_a(ibin)
ma(ja_no3,ibin) = 1.e-9*aer(ino3_a,jliquid,ibin)/water_a(ibin)
ma(ja_cl,ibin) = 1.e-9*aer(icl_a, jliquid,ibin)/water_a(ibin)
mc(jc_h,ibin) = mh
mc(jc_ca,ibin) = 1.e-9*aer(ica_a, jliquid,ibin)/water_a(ibin)
mc(jc_nh4,ibin) = 1.e-9*aer(inh4_a,jliquid,ibin)/water_a(ibin)
mc(jc_na,ibin) = 1.e-9*aer(ina_a, jliquid,ibin)/water_a(ibin)
! update the following activities
activity(jhcl,ibin) = mc(jc_h,ibin) *ma(ja_cl,ibin) * &
gam(jhcl,ibin)**2
activity(jhno3,ibin) = mc(jc_h,ibin) *ma(ja_no3,ibin) * &
gam(jhno3,ibin)**2
activity(jnh4no3,ibin) = mc(jc_nh4,ibin)*ma(ja_no3,ibin) * &
gam(jnh4no3,ibin)**2
! also update xyz(jtotal)
aer(ino3_a,jtotal,ibin) = aer(ino3_a,jliquid,ibin) + &
aer(ino3_a,jsolid,ibin)
electrolyte(jhno3,jtotal,ibin) = electrolyte(jhno3,jliquid,ibin)
return
end subroutine equilibrate_hno3
! both hcl and hno3
subroutine equilibrate_hcl_and_hno3(ibin)
! implicit none
! include 'mosaic.h'
! subr arguments
integer ibin
! local variables
real(kind=8) aerh, aerhso4, aerso4, kdash_hcl, kdash_hno3, &
mh, p, q, r, tcl, tno3, w, xt, z
! real(kind=8) cubic ! mosaic func
aerso4 = ma(ja_so4,ibin)*water_a(ibin)*1.e+9
aerhso4= ma(ja_hso4,ibin)*water_a(ibin)*1.e+9
tcl = aer(icl_a,jliquid,ibin) + gas(ihcl_g) ! nmol/m^3(air)
tno3 = aer(ino3_a,jliquid,ibin) + gas(ihno3_g) ! nmol/m^3(air)
kdash_hcl = keq_gl(4)*1.e+18/gam(jhcl,ibin)**2 ! (nmol^2/kg^2)/(nmol/m^3(air))
kdash_hno3 = keq_gl(3)*1.e+18/gam(jhno3,ibin)**2 ! (nmol^2/kg^2)/(nmol/m^3(air))
z = ( aer(ina_a, jliquid,ibin) + & ! nmol/m^3(air)
aer(inh4_a,jliquid,ibin) + &
2.*aer(ica_a, jliquid,ibin) ) - &
(2.*aerso4 + aerhso4 )
w = water_a(ibin)
kdash_hcl = keq_gl(4)*1.e+18/gam(jhcl,ibin)**2 ! (nmol^2/kg^2)/(nmol/m^3(air))
kdash_hno3 = keq_gl(3)*1.e+18/gam(jhno3,ibin)**2 ! (nmol^2/kg^2)/(nmol/m^3(air))
p = (z/w + w*(kdash_hcl + kdash_hno3))*1.e-9
q = 1.e-18*kdash_hcl*kdash_hno3*w**2 + &
1.e-18*z*(kdash_hcl + kdash_hno3) - &
1.e-18*kdash_hcl*tcl - &
1.e-18*kdash_hno3*tno3
r = 1.e-18*kdash_hcl*kdash_hno3*w*(z - tcl - tno3)*1.e-9
mh = cubic(p,q,r)
if(mh .gt. 0.0)then
aerh = mh*w*1.e+9
aer(ino3_a,jliquid,ibin) = kdash_hno3*w*w*tno3/ &
(aerh + kdash_hno3*w*w)
aer(icl_a, jliquid,ibin) = kdash_hcl*w*w*tcl/ &
(aerh + kdash_hcl*w*w)
else
mh = sqrt(keq_ll(3))
endif
call form_electrolytes(jliquid,ibin,xt)
! update gas phase concentration
gas(ihno3_g)= tno3 - aer(ino3_a,jliquid,ibin)
gas(ihcl_g) = tcl - aer(icl_a,jliquid,ibin)
! update the following molalities
ma(ja_so4,ibin) = 1.e-9*aerso4/water_a(ibin)
ma(ja_hso4,ibin) = 1.e-9*aerhso4/water_a(ibin)
ma(ja_no3,ibin) = 1.e-9*aer(ino3_a,jliquid,ibin)/water_a(ibin)
ma(ja_cl,ibin) = 1.e-9*aer(icl_a, jliquid,ibin)/water_a(ibin)
mc(jc_h,ibin) = mh
mc(jc_ca,ibin) = 1.e-9*aer(ica_a, jliquid,ibin)/water_a(ibin)
mc(jc_nh4,ibin) = 1.e-9*aer(inh4_a,jliquid,ibin)/water_a(ibin)
mc(jc_na,ibin) = 1.e-9*aer(ina_a, jliquid,ibin)/water_a(ibin)
! update the following activities
activity(jhcl,ibin) = mc(jc_h,ibin)*ma(ja_cl,ibin) * &
gam(jhcl,ibin)**2
activity(jhno3,ibin) = mc(jc_h,ibin)*ma(ja_no3,ibin) * &
gam(jhno3,ibin)**2
activity(jnh4no3,ibin) = mc(jc_nh4,ibin)*ma(ja_no3,ibin)* &
gam(jnh4no3,ibin)**2
activity(jnh4cl,ibin) = mc(jc_nh4,ibin)*ma(ja_cl,ibin) * &
gam(jnh4cl,ibin)**2
! also update xyz(jtotal)
aer(icl_a,jtotal,ibin) = aer(icl_a,jliquid,ibin) + &
aer(icl_a,jsolid,ibin)
aer(ino3_a,jtotal,ibin) = aer(ino3_a,jliquid,ibin) + &
aer(ino3_a,jsolid,ibin)
electrolyte(jhno3,jtotal,ibin) = electrolyte(jhno3,jliquid,ibin)
electrolyte(jhcl, jtotal,ibin) = electrolyte(jhcl, jliquid,ibin)
return
end subroutine equilibrate_hcl_and_hno3
!***********************************************************************
! called only once per entire simulation to load gas and aerosol
! indices, parameters, physico-chemical constants, polynomial coeffs, etc.
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine load_mosaic_parameters
! implicit none
! include 'v33com2'
! include 'mosaic.h'
! local variables
integer iaer, je, ja, j_index, ibin
! logical first
! save first
! data first/.true./
logical, save :: first = .true.
if(first)then
first=.false.
!----------------------------------------------------------------
! control settings
msize_framework = msection ! mmodal or msection
mgas_aer_xfer = myes ! myes, mno
! astem parameters
nmax_astem = 200 ! max number of time steps in astem
alpha_astem = 0.05 ! choose a value between 0.01 and 1.0
! Changed alpha_astem from 0.5 to 0.05 by Manish Shrivastava on 01/08/2010
rtol_eqb_astem = 0.01 ! equilibrium tolerance in astem
ptol_mol_astem = 0.01 ! mol percent tolerance in astem
! mesa parameters
nmax_mesa = 80 ! max number of iterations in mesa_ptc
rtol_mesa = 0.01 ! mesa equilibrium tolerance
!----------------------------------------------------------------
!
! set gas and aerosol indices
!
! gas (local)
ih2so4_g = 1 ! ioa (inorganic aerosol)
ihno3_g = 2 ! ioa
ihcl_g = 3 ! ioa
inh3_g = 4 ! ioa
imsa_g = 5 ! ioa
ipcg1_b_c_g =6
ipcg2_b_c_g =7
ipcg3_b_c_g =8
ipcg4_b_c_g =9
ipcg5_b_c_g =10
ipcg6_b_c_g =11
ipcg7_b_c_g =12
ipcg8_b_c_g =13
ipcg9_b_c_g =14
ipcg1_b_o_g =15
ipcg2_b_o_g =16
ipcg3_b_o_g =17
ipcg4_b_o_g =18
ipcg5_b_o_g =19
ipcg6_b_o_g =20
ipcg7_b_o_g =21
ipcg8_b_o_g =22
ipcg9_b_o_g =23
iopcg1_b_c_g =24
iopcg2_b_c_g = 25
iopcg3_b_c_g =26
iopcg4_b_c_g =27
iopcg5_b_c_g =28
iopcg6_b_c_g =29
iopcg7_b_c_g =30
iopcg8_b_c_g =31
iopcg1_b_o_g =32
iopcg2_b_o_g =33
iopcg3_b_o_g =34
iopcg4_b_o_g =35
iopcg5_b_o_g =36
iopcg6_b_o_g =37
iopcg7_b_o_g =38
iopcg8_b_o_g =39
ipcg1_f_c_g =40
ipcg2_f_c_g =41
ipcg3_f_c_g =42
ipcg4_f_c_g =43
ipcg5_f_c_g =44
ipcg6_f_c_g =45
ipcg7_f_c_g =46
ipcg8_f_c_g =47
ipcg9_f_c_g =48
ipcg1_f_o_g =49
ipcg2_f_o_g =50
ipcg3_f_o_g =51
ipcg4_f_o_g =52
ipcg5_f_o_g =53
ipcg6_f_o_g =54
ipcg7_f_o_g =55
ipcg8_f_o_g =56
ipcg9_f_o_g =57
iopcg1_f_c_g =58
iopcg2_f_c_g =59
iopcg3_f_c_g =60
iopcg4_f_c_g =61
iopcg5_f_c_g =62
iopcg6_f_c_g =63
iopcg7_f_c_g =64
iopcg8_f_c_g =65
iopcg1_f_o_g =66
iopcg2_f_o_g =67
iopcg3_f_o_g =68
iopcg4_f_o_g =69
iopcg5_f_o_g =70
iopcg6_f_o_g =71
iopcg7_f_o_g =72
iopcg8_f_o_g =73
ismpa_g =74
ismpbb_g =75
iant1_c_g =76
iant2_c_g =77
iant3_c_g =78
iant4_c_g =79
iant1_o_g =80
iant2_o_g =81
iant3_o_g =82
iant4_o_g =83
ibiog1_c_g =84
ibiog2_c_g =85
ibiog3_c_g =86
ibiog4_c_g =87
ibiog1_o_g =88
ibiog2_o_g =89
ibiog3_o_g =90
ibiog4_o_g =91
! in2o5_g =92 ! ioa --> NO3-
! iclno2_g =93 ! ioa N2O5+Cl- -->
! the order of species is ngas_ioa, then ngas_soa, then the rest...
! for the "equilibrium" routine i*_a and i*_g species
! have to have the same index.
iasoaX_g=92
iasoa1_g=93
iasoa2_g=94
iasoa3_g=95
iasoa4_g=96
ibsoaX_g=97
ibsoa1_g=98
ibsoa2_g=99
ibsoa3_g=100
ibsoa4_g=101
in2o5_g =102 ! ioa --> NO3-
iclno2_g =103 ! ioa N2O5+Cl- -->
igly =104
iho =105
! ico2_g = 14 ! currently not used
!
! aerosol (local): used for total species
iso4_a = 1 ! <-> ih2so4_g
ino3_a = 2 ! <-> ihno3_g
icl_a = 3 ! <-> ihcl_g
inh4_a = 4 ! <-> inh3_g
imsa_a = 5 ! <-> imsa_g
ipcg1_b_c_a =6
ipcg2_b_c_a =7
ipcg3_b_c_a =8
ipcg4_b_c_a =9
ipcg5_b_c_a =10
ipcg6_b_c_a =11
ipcg7_b_c_a =12
ipcg8_b_c_a =13
ipcg9_b_c_a =14
ipcg1_b_o_a =15
ipcg2_b_o_a =16
ipcg3_b_o_a =17
ipcg4_b_o_a =18
ipcg5_b_o_a =19
ipcg6_b_o_a =20
ipcg7_b_o_a =21
ipcg8_b_o_a =22
ipcg9_b_o_a =23
iopcg1_b_c_a =24
iopcg2_b_c_a = 25
iopcg3_b_c_a =26
iopcg4_b_c_a =27
iopcg5_b_c_a =28
iopcg6_b_c_a =29
iopcg7_b_c_a =30
iopcg8_b_c_a =31
iopcg1_b_o_a =32
iopcg2_b_o_a = 33
iopcg3_b_o_a =34
iopcg4_b_o_a =35
iopcg5_b_o_a =36
iopcg6_b_o_a =37
iopcg7_b_o_a =38
iopcg8_b_o_a =39
ipcg1_f_c_a =40
ipcg2_f_c_a =41
ipcg3_f_c_a =42
ipcg4_f_c_a =43
ipcg5_f_c_a =44
ipcg6_f_c_a =45
ipcg7_f_c_a =46
ipcg8_f_c_a =47
ipcg9_f_c_a =48
ipcg1_f_o_a =49
ipcg2_f_o_a =50
ipcg3_f_o_a =51
ipcg4_f_o_a =52
ipcg5_f_o_a =53
ipcg6_f_o_a =54
ipcg7_f_o_a =55
ipcg8_f_o_a =56
ipcg9_f_o_a =57
iopcg1_f_c_a =58
iopcg2_f_c_a =59
iopcg3_f_c_a =60
iopcg4_f_c_a =61
iopcg5_f_c_a =62
iopcg6_f_c_a =63
iopcg7_f_c_a =64
iopcg8_f_c_a =65
iopcg1_f_o_a =66
iopcg2_f_o_a =67
iopcg3_f_o_a =68
iopcg4_f_o_a =69
iopcg5_f_o_a =70
iopcg6_f_o_a =71
iopcg7_f_o_a =72
iopcg8_f_o_a =73
ismpa_a =74
ismpbb_a =75
iant1_c_a =76
iant2_c_a =77
iant3_c_a =78
iant4_c_a =79
iant1_o_a =80
iant2_o_a =81
iant3_o_a =82
iant4_o_a =83
ibiog1_c_a =84
ibiog2_c_a =85
ibiog3_c_a =86
ibiog4_c_a =87
ibiog1_o_a =88
ibiog2_o_a =89
ibiog3_o_a =90
ibiog4_o_a =91
! for the "equilibrium" routine,
! i*_g and i*_a species have to have the same index...
! ico3_a = 92 ! <-> ico2_g ! ico3_a was 14 earlier, changed to 82 by Manish Shrivastava
! ina_a = 93
! ica_a = 94
! ioin_a = 95
! ioc_a = 96
! ibc_a = 97
iasoaX_a=92
iasoa1_a=93
iasoa2_a=94
iasoa3_a=95
iasoa4_a=96
ibsoaX_a=97
ibsoa1_a=98
ibsoa2_a=99
ibsoa3_a=100
ibsoa4_a=101
iglysoa_r1_a = 102
iglysoa_r2_a = 103
iglysoa_sfc_a = 104
iglysoa_nh4_a = 105
iglysoa_oh_a = 106
ico3_a = 107 ! <-> ico2_g ! ico3_a was 14 earlier, changed to 82 by Manish Shrivastava
ina_a = 108
ica_a = 109
ioin_a = 110
ioc_a = 111
ibc_a = 112
! electrolyte indices (used for water content calculations)
! these indices are order sensitive
jnh4so4 = 1 ! soluble
jlvcite = 2 ! soluble
jnh4hso4 = 3 ! soluble
jnh4msa = 4 ! soluble new
jnh4no3 = 5 ! soluble
jnh4cl = 6 ! soluble
jna2so4 = 7 ! soluble
jna3hso4 = 8 ! soluble
jnahso4 = 9 ! soluble
jnamsa = 10 ! soluble new
jnano3 = 11 ! soluble
jnacl = 12 ! soluble
jcano3 = 13 ! soluble
jcacl2 = 14 ! soluble
jcamsa2 = 15 ! soluble new nsalt
jh2so4 = 16 ! soluble
jmsa = 17 ! soluble new
jhno3 = 18 ! soluble
jhcl = 19 ! soluble
jhhso4 = 20 ! soluble
jcaso4 = 21 ! insoluble
jcaco3 = 22 ! insoluble
joc = 23 ! insoluble - part of naercomp
jbc = 24 ! insoluble - part of naercomp
join = 25 ! insoluble - part of naercomp
jpcg1_b_c =26
jpcg2_b_c =27
jpcg3_b_c =28
jpcg4_b_c =29
jpcg5_b_c =30
jpcg6_b_c =31
jpcg7_b_c =32
jpcg8_b_c =33
jpcg9_b_c =34
jpcg1_b_o =35
jpcg2_b_o =36
jpcg3_b_o =37
jpcg4_b_o =38
jpcg5_b_o =39
jpcg6_b_o =40
jpcg7_b_o =41
jpcg8_b_o =42
jpcg9_b_o =43
jopcg1_b_c =44
jopcg2_b_c =45
jopcg3_b_c =46
jopcg4_b_c =47
jopcg5_b_c =48
jopcg6_b_c =49
jopcg7_b_c =50
jopcg8_b_c =51
jopcg1_b_o =52
jopcg2_b_o =53
jopcg3_b_o =54
jopcg4_b_o =55
jopcg5_b_o =56
jopcg6_b_o =57
jopcg7_b_o =58
jopcg8_b_o =59
jpcg1_f_c =60
jpcg2_f_c =61
jpcg3_f_c =62
jpcg4_f_c =63
jpcg5_f_c =64
jpcg6_f_c =65
jpcg7_f_c =66
jpcg8_f_c =67
jpcg9_f_c =68
jpcg1_f_o =69
jpcg2_f_o =70
jpcg3_f_o =71
jpcg4_f_o =72
jpcg5_f_o =73
jpcg6_f_o =74
jpcg7_f_o =75
jpcg8_f_o =76
jpcg9_f_o =77
jopcg1_f_c =78
jopcg2_f_c =79
jopcg3_f_c =80
jopcg4_f_c =81
jopcg5_f_c =82
jopcg6_f_c =83
jopcg7_f_c =84
jopcg8_f_c =85
jopcg1_f_o =86
jopcg2_f_o =87
jopcg3_f_o =88
jopcg4_f_o =89
jopcg5_f_o =90
jopcg6_f_o =91
jopcg7_f_o =92
jopcg8_f_o =93
jsmpa =94
jsmpbb =95
jant1_c =96
jant2_c =97
jant3_c =98
jant4_c =99
jant1_o =100
jant2_o =101
jant3_o =102
jant4_o =103
jbiog1_c =104
jbiog2_c =105
jbiog3_c =106
jbiog4_c =107
jbiog1_o =108
jbiog2_o =109
jbiog3_o =110
jbiog4_o =111
! jh2o = 112 ! water - part of naercomp
jasoaX=112
jasoa1=113
jasoa2=114
jasoa3=115
jasoa4=116
jbsoaX=117
jbsoa1=118
jbsoa2=119
jbsoa3=120
jbsoa4=121
jglysoa_r1 = 122
jglysoa_r2 = 123
jglysoa_sfc = 124
jglysoa_nh4 = 125
jglysoa_oh = 126
jh2o = 127 ! water - part of naercomp
! local aerosol ions
! cations
jc_h = 1
jc_nh4 = 2
jc_na = 3
jc_ca = 4
!
! anions
ja_hso4 = 1
ja_so4 = 2
ja_no3 = 3
ja_cl = 4
ja_msa = 5
! ja_co3 = 6
!--------------------------------------------------------------------
! phase state names
! phasestate(no_aerosol) = "NOAERO"
! phasestate(all_solid) = "SOLID "
! phasestate(all_liquid) = "LIQUID"
! phasestate(mixed) = "MIXED "
! names of aer species
aer_name(iso4_a) = 'so4'
aer_name(ino3_a) = 'no3'
aer_name(icl_a) = 'cl '
aer_name(inh4_a) = 'nh4'
aer_name(ioc_a) = 'oc '
aer_name(imsa_a) = 'msa'
aer_name(ico3_a) = 'co3'
aer_name(ina_a) = 'na '
aer_name(ica_a) = 'ca '
aer_name(ibc_a) = 'bc '
aer_name(ioin_a) = 'oin'
aer_name(ipcg1_b_c_a)="pcg1_b_c"
aer_name(ipcg2_b_c_a)="pcg2_b_c"
aer_name(ipcg3_b_c_a)="pcg3_b_c"
aer_name(ipcg4_b_c_a)="pcg4_b_c"
aer_name(ipcg5_b_c_a)="pcg5_b_c"
aer_name(ipcg6_b_c_a)="pcg6_b_c"
aer_name(ipcg7_b_c_a)="pcg7_b_c"
aer_name(ipcg8_b_c_a)="pcg8_b_c"
aer_name(ipcg9_b_c_a)="pcg9_b_c"
aer_name(iopcg1_b_c_a)="opcg1_b_c"
aer_name(iopcg2_b_c_a)="opcg2_b_c"
aer_name(iopcg3_b_c_a)="opcg3_b_c"
aer_name(iopcg4_b_c_a)="opcg4_b_c"
aer_name(iopcg5_b_c_a)="opcg5_b_c"
aer_name(iopcg6_b_c_a)="opcg6_b_c"
aer_name(iopcg7_b_c_a)="opcg7_b_c"
aer_name(iopcg8_b_c_a)="opcg8_b_c"
aer_name(ipcg1_b_o_a)="pcg1_b_o"
aer_name(ipcg2_b_o_a)="pcg2_b_o"
aer_name(ipcg3_b_o_a)="pcg3_b_o"
aer_name(ipcg4_b_o_a)="pcg4_b_o"
aer_name(ipcg5_b_o_a)="pcg5_b_o"
aer_name(ipcg6_b_o_a)="pcg6_b_o"
aer_name(ipcg7_b_o_a)="pcg7_b_o"
aer_name(ipcg8_b_o_a)="pcg8_b_o"
aer_name(ipcg9_b_o_a)="pcg9_b_o"
aer_name(iopcg1_b_o_a)="opcg1_b_o"
aer_name(iopcg2_b_o_a)="opcg2_b_o"
aer_name(iopcg3_b_o_a)="opcg3_b_o"
aer_name(iopcg4_b_o_a)="opcg4_b_o"
aer_name(iopcg5_b_o_a)="opcg5_b_o"
aer_name(iopcg6_b_o_a)="opcg6_b_o"
aer_name(iopcg7_b_o_a)="opcg7_b_o"
aer_name(iopcg8_b_o_a)="opcg8_b_o"
aer_name(ipcg1_f_c_a)="pcg1_f_c"
aer_name(ipcg2_f_c_a)="pcg2_f_c"
aer_name(ipcg3_f_c_a)="pcg3_f_c"
aer_name(ipcg4_f_c_a)="pcg4_f_c"
aer_name(ipcg5_f_c_a)="pcg5_f_c"
aer_name(ipcg6_f_c_a)="pcg6_f_c"
aer_name(ipcg7_f_c_a)="pcg7_f_c"
aer_name(ipcg8_f_c_a)="pcg8_f_c"
aer_name(ipcg9_f_c_a)="pcg9_f_c"
aer_name(iopcg1_f_c_a)="opcg1_f_c"
aer_name(iopcg2_f_c_a)="opcg2_f_c"
aer_name(iopcg3_f_c_a)="opcg3_f_c"
aer_name(iopcg4_f_c_a)="opcg4_f_c"
aer_name(iopcg5_f_c_a)="opcg5_f_c"
aer_name(iopcg6_f_c_a)="opcg6_f_c"
aer_name(iopcg7_f_c_a)="opcg7_f_c"
aer_name(iopcg8_f_c_a)="opcg8_f_c"
aer_name(ipcg1_f_o_a)="pcg1_f_o"
aer_name(ipcg2_f_o_a)="pcg2_f_o"
aer_name(ipcg3_f_o_a)="pcg3_f_o"
aer_name(ipcg4_f_o_a)="pcg4_f_o"
aer_name(ipcg5_f_o_a)="pcg5_f_o"
aer_name(ipcg6_f_o_a)="pcg6_f_o"
aer_name(ipcg7_f_o_a)="pcg7_f_o"
aer_name(ipcg8_f_o_a)="pcg8_f_o"
aer_name(ipcg9_f_o_a)="pcg9_f_o"
aer_name(iopcg1_f_o_a)="opcg1_f_o"
aer_name(iopcg2_f_o_a)="opcg2_f_o"
aer_name(iopcg3_f_o_a)="opcg3_f_o"
aer_name(iopcg4_f_o_a)="opcg4_f_o"
aer_name(iopcg5_f_o_a)="opcg5_f_o"
aer_name(iopcg6_f_o_a)="opcg6_f_o"
aer_name(iopcg7_f_o_a)="opcg7_f_o"
aer_name(iopcg8_f_o_a)="opcg8_f_o"
aer_name(ismpa_a)="smpa"
aer_name(ismpbb_a)="smpbb"
aer_name(iglysoa_r1_a)="glysoa_r1"
aer_name(iglysoa_r2_a)="glysoa_r2"
aer_name(iglysoa_sfc_a)="glysoa_sfc"
aer_name(iglysoa_nh4_a)="glysoa_nh4"
aer_name(iglysoa_oh_a)="glysoa_oh"
aer_name(iant1_c_a)="ant1_c"
aer_name(iant2_c_a)="ant2_c"
aer_name(iant3_c_a)="ant3_c"
aer_name(iant4_c_a)="ant4_c"
aer_name(iant1_o_a)="ant1_o"
aer_name(iant2_o_a)="ant2_o"
aer_name(iant3_o_a)="ant3_o"
aer_name(iant4_o_a)="ant4_o"
aer_name(ibiog1_c_a)="biog1_c"
aer_name(ibiog2_c_a)="biog2_c"
aer_name(ibiog3_c_a)="biog3_c"
aer_name(ibiog4_c_a)="biog4_c"
aer_name(ibiog1_o_a)="biog1_o"
aer_name(ibiog2_o_a)="biog2_o"
aer_name(ibiog3_o_a)="biog3_o"
aer_name(ibiog4_o_a)="biog4_o"
aer_name(iasoaX_a)="asoaX"
aer_name(iasoa1_a)="asoa1"
aer_name(iasoa2_a)="asoa2"
aer_name(iasoa3_a)="asoa3"
aer_name(iasoa4_a)="asoa4"
aer_name(ibsoaX_a)="bsoaX"
aer_name(ibsoa1_a)="bsoa1"
aer_name(ibsoa2_a)="bsoa2"
aer_name(ibsoa3_a)="bsoa3"
aer_name(ibsoa4_a)="bsoa4"
! names of gas species
gas_name(ih2so4_g) = 'h2so4'
gas_name(ihno3_g) = 'hno3 '
gas_name(ihcl_g) = 'hcl '
gas_name(inh3_g) = 'nh3 '
gas_name(imsa_g) = "msa "
gas_name(ipcg1_b_c_g)="pcg1_b_c"
gas_name(ipcg2_b_c_g)="pcg2_b_c"
gas_name(ipcg3_b_c_g)="pcg3_b_c"
gas_name(ipcg4_b_c_g)="pcg4_b_c"
gas_name(ipcg5_b_c_g)="pcg5_b_c"
gas_name(ipcg6_b_c_g)="pcg6_b_c"
gas_name(ipcg7_b_c_g)="pcg7_b_c"
gas_name(ipcg8_b_c_g)="pcg8_b_c"
gas_name(ipcg9_b_c_g)="pcg9_b_c"
gas_name(iopcg1_b_c_g)="opcg1_b_c"
gas_name(iopcg2_b_c_g)="opcg2_b_c"
gas_name(iopcg3_b_c_g)="opcg3_b_c"
gas_name(iopcg4_b_c_g)="opcg4_b_c"
gas_name(iopcg5_b_c_g)="opcg5_b_c"
gas_name(iopcg6_b_c_g)="opcg6_b_c"
gas_name(iopcg7_b_c_g)="opcg7_b_c"
gas_name(iopcg8_b_c_g)="opcg8_b_c"
gas_name(ipcg1_b_o_g)="pcg1_b_o"
gas_name(ipcg2_b_o_g)="pcg2_b_o"
gas_name(ipcg3_b_o_g)="pcg3_b_o"
gas_name(ipcg4_b_o_g)="pcg4_b_o"
gas_name(ipcg5_b_o_g)="pcg5_b_o"
gas_name(ipcg6_b_o_g)="pcg6_b_o"
gas_name(ipcg7_b_o_g)="pcg7_b_o"
gas_name(ipcg8_b_o_g)="pcg8_b_o"
gas_name(ipcg9_b_o_g)="pcg9_b_o"
gas_name(iopcg1_b_o_g)="opcg1_b_o"
gas_name(iopcg2_b_o_g)="opcg2_b_o"
gas_name(iopcg3_b_o_g)="opcg3_b_o"
gas_name(iopcg4_b_o_g)="opcg4_b_o"
gas_name(iopcg5_b_o_g)="opcg5_b_o"
gas_name(iopcg6_b_o_g)="opcg6_b_o"
gas_name(iopcg7_b_o_g)="opcg7_b_o"
gas_name(iopcg8_b_o_g)="opcg8_b_o"
gas_name(ipcg1_f_c_g)="pcg1_f_c"
gas_name(ipcg2_f_c_g)="pcg2_f_c"
gas_name(ipcg3_f_c_g)="pcg3_f_c"
gas_name(ipcg4_f_c_g)="pcg4_f_c"
gas_name(ipcg5_f_c_g)="pcg5_f_c"
gas_name(ipcg6_f_c_g)="pcg6_f_c"
gas_name(ipcg7_f_c_g)="pcg7_f_c"
gas_name(ipcg8_f_c_g)="pcg8_f_c"
gas_name(ipcg9_f_c_g)="pcg9_f_c"
gas_name(iopcg1_f_c_g)="opcg1_f_c"
gas_name(iopcg2_f_c_g)="opcg2_f_c"
gas_name(iopcg3_f_c_g)="opcg3_f_c"
gas_name(iopcg4_f_c_g)="opcg4_f_c"
gas_name(iopcg5_f_c_g)="opcg5_f_c"
gas_name(iopcg6_f_c_g)="opcg6_f_c"
gas_name(iopcg7_f_c_g)="opcg7_f_c"
gas_name(iopcg8_f_c_g)="opcg8_f_c"
gas_name(ipcg1_f_o_g)="pcg1_f_o"
gas_name(ipcg2_f_o_g)="pcg2_f_o"
gas_name(ipcg3_f_o_g)="pcg3_f_o"
gas_name(ipcg4_f_o_g)="pcg4_f_o"
gas_name(ipcg5_f_o_g)="pcg5_f_o"
gas_name(ipcg6_f_o_g)="pcg6_f_o"
gas_name(ipcg7_f_o_g)="pcg7_f_o"
gas_name(ipcg8_f_o_g)="pcg8_f_o"
gas_name(ipcg9_f_o_g)="pcg9_f_o"
gas_name(iopcg1_f_o_g)="opcg1_f_o"
gas_name(iopcg2_f_o_g)="opcg2_f_o"
gas_name(iopcg3_f_o_g)="opcg3_f_o"
gas_name(iopcg4_f_o_g)="opcg4_f_o"
gas_name(iopcg5_f_o_g)="opcg5_f_o"
gas_name(iopcg6_f_o_g)="opcg6_f_o"
gas_name(iopcg7_f_o_g)="opcg7_f_o"
gas_name(iopcg8_f_o_g)="opcg8_f_o"
gas_name(ismpa_g)="smpa"
gas_name(ismpbb_g)="smpbb"
gas_name(iant1_c_g)="ant1_c"
gas_name(iant2_c_g)="ant2_c"
gas_name(iant3_c_g)="ant3_c"
gas_name(iant4_c_g)="ant4_c"
gas_name(iant1_o_g)="ant1_o"
gas_name(iant2_o_g)="ant2_o"
gas_name(iant3_o_g)="ant3_o"
gas_name(iant4_o_g)="ant4_o"
gas_name(ibiog1_c_g)="biog1_c"
gas_name(ibiog2_c_g)="biog2_c"
gas_name(ibiog3_c_g)="biog3_c"
gas_name(ibiog4_c_g)="biog4_c"
gas_name(ibiog1_o_g)="biog1_o"
gas_name(ibiog2_o_g)="biog2_o"
gas_name(ibiog3_o_g)="biog3_o"
gas_name(ibiog4_o_g)="biog4_o"
gas_name(in2o5_g) = "n2o5 "
gas_name(iclno2_g)= "clno2"
gas_name(iasoaX_g)="asoaX"
gas_name(iasoa1_g)="asoa1"
gas_name(iasoa2_g)="asoa2"
gas_name(iasoa3_g)="asoa3"
gas_name(iasoa4_g)="asoa4"
gas_name(ibsoaX_g)="bsoaX"
gas_name(ibsoa1_g)="bsoa1"
gas_name(ibsoa2_g)="bsoa2"
gas_name(ibsoa3_g)="bsoa3"
gas_name(ibsoa4_g)="bsoa4"
gas_name(igly)="gly"
gas_name(iho)="ho"
! names of electrolytes
ename(jnh4so4) = 'amso4'
ename(jlvcite) = '(nh4)3h(so4)2'
ename(jnh4hso4)= 'nh4hso4'
ename(jnh4msa) = "ch3so3nh4"
ename(jnh4no3) = 'nh4no3'
ename(jnh4cl) = 'nh4cl'
ename(jnacl) = 'nacl'
ename(jnano3) = 'nano3'
ename(jna2so4) = 'na2so4'
ename(jna3hso4)= 'na3h(so4)2'
ename(jnamsa) = "ch3so3na"
ename(jnahso4) = 'nahso4'
ename(jcaso4) = 'caso4'
ename(jcamsa2) = "(ch3so3)2ca"
ename(jcano3) = 'ca(no3)2'
ename(jcacl2) = 'cacl2'
ename(jcaco3) = 'caco3'
ename(jh2so4) = 'h2so4'
ename(jhhso4) = 'hhso4'
ename(jhno3) = 'hno3'
ename(jhcl) = 'hcl'
ename(jmsa) = "ch3so3h"
! molecular weights of electrolytes
mw_electrolyte(jnh4so4) = 132.0
mw_electrolyte(jlvcite) = 247.0
mw_electrolyte(jnh4hso4)= 115.0
mw_electrolyte(jnh4msa) = 113.0
mw_electrolyte(jnh4no3) = 80.0
mw_electrolyte(jnh4cl) = 53.5
mw_electrolyte(jnacl) = 58.5
mw_electrolyte(jnano3) = 85.0
mw_electrolyte(jna2so4) = 142.0
mw_electrolyte(jna3hso4)= 262.0
mw_electrolyte(jnahso4) = 120.0
mw_electrolyte(jnamsa) = 118.0
mw_electrolyte(jcaso4) = 136.0
mw_electrolyte(jcamsa2) = 230.0
mw_electrolyte(jcano3) = 164.0
mw_electrolyte(jcacl2) = 111.0
mw_electrolyte(jcaco3) = 100.0
mw_electrolyte(jh2so4) = 98.0
mw_electrolyte(jhno3) = 63.0
mw_electrolyte(jhcl) = 36.5
mw_electrolyte(jmsa) = 96.0
! molecular weights of ions [g/mol]
mw_c(jc_h) = 1.0
mw_c(jc_nh4)= 18.0
mw_c(jc_na) = 23.0
mw_c(jc_ca) = 40.0
mw_a(ja_so4) = 96.0
mw_a(ja_hso4)= 97.0
mw_a(ja_no3) = 62.0
mw_a(ja_cl) = 35.5
MW_a(ja_msa) = 95.0
! magnitude of the charges on ions
zc(jc_h) = 1
zc(jc_nh4) = 1
zc(jc_na) = 1
zc(jc_ca) = 2
za(ja_hso4)= 1
za(ja_so4) = 2
za(ja_no3) = 1
za(ja_cl) = 1
za(ja_msa) = 1
! densities of pure electrolytes in g/cc
dens_electrolyte(jnh4so4) = 1.8
dens_electrolyte(jlvcite) = 1.8
dens_electrolyte(jnh4hso4) = 1.8
dens_electrolyte(jnh4msa) = 1.8 ! assumed same as nh4hso4
dens_electrolyte(jnh4no3) = 1.8
dens_electrolyte(jnh4cl) = 1.8
dens_electrolyte(jnacl) = 2.2
dens_electrolyte(jnano3) = 2.2
dens_electrolyte(jna2so4) = 2.2
dens_electrolyte(jna3hso4) = 2.2
dens_electrolyte(jnahso4) = 2.2
dens_electrolyte(jnamsa) = 2.2 ! assumed same as nahso4
dens_electrolyte(jcaso4) = 2.6
dens_electrolyte(jcamsa2) = 2.6 ! assumed same as caso4
dens_electrolyte(jcano3) = 2.6
dens_electrolyte(jcacl2) = 2.6
dens_electrolyte(jcaco3) = 2.6
dens_electrolyte(jh2so4) = 1.8
dens_electrolyte(jhhso4) = 1.8
dens_electrolyte(jhno3) = 1.8
dens_electrolyte(jhcl) = 1.8
dens_electrolyte(jmsa) = 1.8 ! assumed same as h2so4
! densities of compounds in g/cc
dens_comp_a(jnh4so4) = 1.8
dens_comp_a(jlvcite) = 1.8
dens_comp_a(jnh4hso4) = 1.8
dens_comp_a(jnh4msa) = 1.8 ! assumed same as nh4hso4
dens_comp_a(jnh4no3) = 1.7
dens_comp_a(jnh4cl) = 1.5
dens_comp_a(jnacl) = 2.2
dens_comp_a(jnano3) = 2.2
dens_comp_a(jna2so4) = 2.2
dens_comp_a(jna3hso4) = 2.2
dens_comp_a(jnahso4) = 2.2
dens_comp_a(jnamsa) = 2.2 ! assumed same as nahso4
dens_comp_a(jcaso4) = 2.6
dens_comp_a(jcamsa2) = 2.6 ! assumed same as caso4
dens_comp_a(jcano3) = 2.6
dens_comp_a(jcacl2) = 2.6
dens_comp_a(jcaco3) = 2.6
dens_comp_a(jh2so4) = 1.8
dens_comp_a(jhhso4) = 1.8
dens_comp_a(jhno3) = 1.8
dens_comp_a(jhcl) = 1.8
dens_comp_a(jmsa) = 1.8 ! assumed same as h2so4
dens_comp_a(joc) = 1.0
dens_comp_a(jbc) = 1.8
dens_comp_a(join) = 2.6
dens_comp_a(jh2o) = 1.0
dens_comp_a(ipcg1_b_c_a) =1.0
dens_comp_a(ipcg2_b_c_a) =1.0
dens_comp_a(ipcg3_b_c_a)=1.0
dens_comp_a(ipcg4_b_c_a)=1.0
dens_comp_a(ipcg5_b_c_a)=1.0
dens_comp_a(ipcg6_b_c_a)=1.0
dens_comp_a(ipcg7_b_c_a)=1.0
dens_comp_a(ipcg8_b_c_a)=1.0
dens_comp_a(ipcg9_b_c_a)=1.0
dens_comp_a(iopcg1_b_c_a)=1.0
dens_comp_a(iopcg2_b_c_a)=1.0
dens_comp_a(iopcg3_b_c_a)=1.0
dens_comp_a(iopcg4_b_c_a)=1.0
dens_comp_a(iopcg5_b_c_a)=1.0
dens_comp_a(iopcg6_b_c_a)=1.0
dens_comp_a(iopcg7_b_c_a)=1.0
dens_comp_a(iopcg8_b_c_a)=1.0
dens_comp_a(ipcg1_b_o_a)=1.0
dens_comp_a(ipcg2_b_o_a)=1.0
dens_comp_a(ipcg3_b_o_a)=1.0
dens_comp_a(ipcg4_b_o_a)=1.0
dens_comp_a(ipcg5_b_o_a)=1.0
dens_comp_a(ipcg6_b_o_a)=1.0
dens_comp_a(ipcg7_b_o_a)=1.0
dens_comp_a(ipcg8_b_o_a)=1.0
dens_comp_a(ipcg9_b_o_a)=1.0
dens_comp_a(iopcg1_b_o_a)=1.0
dens_comp_a(iopcg2_b_o_a)=1.0
dens_comp_a(iopcg3_b_o_a)=1.0
dens_comp_a(iopcg4_b_o_a)=1.0
dens_comp_a(iopcg5_b_o_a)=1.0
dens_comp_a(iopcg6_b_o_a)=1.0
dens_comp_a(iopcg7_b_o_a)=1.0
dens_comp_a(iopcg8_b_o_a)=1.0
dens_comp_a(ipcg1_f_c_a) =1.0
dens_comp_a(ipcg2_f_c_a) =1.0
dens_comp_a(ipcg3_f_c_a)=1.0
dens_comp_a(ipcg4_f_c_a)=1.0
dens_comp_a(ipcg5_f_c_a)=1.0
dens_comp_a(ipcg6_f_c_a)=1.0
dens_comp_a(ipcg7_f_c_a)=1.0
dens_comp_a(ipcg8_f_c_a)=1.0
dens_comp_a(ipcg9_f_c_a)=1.0
dens_comp_a(iopcg1_f_c_a)=1.0
dens_comp_a(iopcg2_f_c_a)=1.0
dens_comp_a(iopcg3_f_c_a)=1.0
dens_comp_a(iopcg4_f_c_a)=1.0
dens_comp_a(iopcg5_f_c_a)=1.0
dens_comp_a(iopcg6_f_c_a)=1.0
dens_comp_a(iopcg7_f_c_a)=1.0
dens_comp_a(iopcg8_f_c_a)=1.0
dens_comp_a(ipcg1_f_o_a)=1.0
dens_comp_a(ipcg2_f_o_a)=1.0
dens_comp_a(ipcg3_f_o_a)=1.0
dens_comp_a(ipcg4_f_o_a)=1.0
dens_comp_a(ipcg5_f_o_a)=1.0
dens_comp_a(ipcg6_f_o_a)=1.0
dens_comp_a(ipcg7_f_o_a)=1.0
dens_comp_a(ipcg8_f_o_a)=1.0
dens_comp_a(ipcg9_f_o_a)=1.0
dens_comp_a(iopcg1_f_o_a)=1.0
dens_comp_a(iopcg2_f_o_a)=1.0
dens_comp_a(iopcg3_f_o_a)=1.0
dens_comp_a(iopcg4_f_o_a)=1.0
dens_comp_a(iopcg5_f_o_a)=1.0
dens_comp_a(iopcg6_f_o_a)=1.0
dens_comp_a(iopcg7_f_o_a)=1.0
dens_comp_a(iopcg8_f_o_a)=1.0
dens_comp_a(ismpa_a)=1.0
dens_comp_a(ismpbb_a)=1.0
dens_comp_a(iglysoa_r1_a)=1.0
dens_comp_a(iglysoa_r2_a)=1.0
dens_comp_a(iglysoa_sfc_a)=1.0
dens_comp_a(iglysoa_nh4_a)=1.0
dens_comp_a(iglysoa_oh_a)=1.0
dens_comp_a(iant1_c_a)=1.0
dens_comp_a(iant2_c_a)=1.0
dens_comp_a(iant3_c_a)=1.0
dens_comp_a(iant4_c_a)=1.0
dens_comp_a(iant1_o_a)=1.0
dens_comp_a(iant2_o_a)=1.0
dens_comp_a(iant3_o_a)=1.0
dens_comp_a(iant4_o_a)=1.0
dens_comp_a(ibiog1_c_a)=1.0
dens_comp_a(ibiog2_c_a)=1.0
dens_comp_a(ibiog3_c_a)=1.0
dens_comp_a(ibiog4_c_a)=1.0
dens_comp_a(ibiog1_o_a)=1.0
dens_comp_a(ibiog2_o_a)=1.0
dens_comp_a(ibiog3_o_a)=1.0
dens_comp_a(ibiog4_o_a)=1.0
dens_comp_a(iasoaX_a)=1.5
dens_comp_a(iasoa1_a)=1.5
dens_comp_a(iasoa2_a)=1.5
dens_comp_a(iasoa3_a)=1.5
dens_comp_a(iasoa4_a)=1.5
dens_comp_a(ibsoaX_a)=1.5
dens_comp_a(ibsoa1_a)=1.5
dens_comp_a(ibsoa2_a)=1.5
dens_comp_a(ibsoa3_a)=1.5
dens_comp_a(ibsoa4_a)=1.5
! molecular weights of generic aerosol species
mw_aer_mac(iso4_a) = 96.0
mw_aer_mac(ino3_a) = 62.0
mw_aer_mac(icl_a) = 35.5
mw_aer_mac(imsa_a) = 95.0 ! ch3so3
mw_aer_mac(ico3_a) = 60.0
mw_aer_mac(inh4_a) = 18.0
mw_aer_mac(ina_a) = 23.0
mw_aer_mac(ica_a) = 40.0
mw_aer_mac(ioin_a) = 1.0 ! not used
mw_aer_mac(ibc_a) = 1.0 ! not used
mw_aer_mac(ioc_a) = 250.0 ! 200 assumed for primary organics
mw_aer_mac(ipcg1_b_c_a) =250.0
mw_aer_mac(ipcg2_b_c_a) =250.0
mw_aer_mac(ipcg3_b_c_a)=250.0
mw_aer_mac(ipcg4_b_c_a)=250.0
mw_aer_mac(ipcg5_b_c_a)=250.0
mw_aer_mac(ipcg6_b_c_a)=250.0
mw_aer_mac(ipcg7_b_c_a)=250.0
mw_aer_mac(ipcg8_b_c_a)=250.0
mw_aer_mac(ipcg9_b_c_a)=250.0
mw_aer_mac(iopcg1_b_c_a)=250.0
mw_aer_mac(iopcg2_b_c_a)=250.0
mw_aer_mac(iopcg3_b_c_a)=250.0
mw_aer_mac(iopcg4_b_c_a)=250.0
mw_aer_mac(iopcg5_b_c_a)=250.0
mw_aer_mac(iopcg6_b_c_a)=250.0
mw_aer_mac(iopcg7_b_c_a)=250.0
mw_aer_mac(iopcg8_b_c_a)=250.0
mw_aer_mac(ipcg1_b_o_a)=250.0
mw_aer_mac(ipcg2_b_o_a)=250.0
mw_aer_mac(ipcg3_b_o_a)=250.0
mw_aer_mac(ipcg4_b_o_a)=250.0
mw_aer_mac(ipcg5_b_o_a)=250.0
mw_aer_mac(ipcg6_b_o_a)=250.0
mw_aer_mac(ipcg7_b_o_a)=250.0
mw_aer_mac(ipcg8_b_o_a)=250.0
mw_aer_mac(ipcg9_b_o_a)=250.0
mw_aer_mac(iopcg1_b_o_a)=250.0
mw_aer_mac(iopcg2_b_o_a)=250.0
mw_aer_mac(iopcg3_b_o_a)=250.0
mw_aer_mac(iopcg4_b_o_a)=250.0
mw_aer_mac(iopcg5_b_o_a)=250.0
mw_aer_mac(iopcg6_b_o_a)=250.0
mw_aer_mac(iopcg7_b_o_a)=250.0
mw_aer_mac(iopcg8_b_o_a)=250.0
mw_aer_mac(ipcg1_f_c_a) =250.0
mw_aer_mac(ipcg2_f_c_a) =250.0
mw_aer_mac(ipcg3_f_c_a)=250.0
mw_aer_mac(ipcg4_f_c_a)=250.0
mw_aer_mac(ipcg5_f_c_a)=250.0
mw_aer_mac(ipcg6_f_c_a)=250.0
mw_aer_mac(ipcg7_f_c_a)=250.0
mw_aer_mac(ipcg8_f_c_a)=250.0
mw_aer_mac(ipcg9_f_c_a)=250.0
mw_aer_mac(iopcg1_f_c_a)=250.0
mw_aer_mac(iopcg2_f_c_a)=250.0
mw_aer_mac(iopcg3_f_c_a)=250.0
mw_aer_mac(iopcg4_f_c_a)=250.0
mw_aer_mac(iopcg5_f_c_a)=250.0
mw_aer_mac(iopcg6_f_c_a)=250.0
mw_aer_mac(iopcg7_f_c_a)=250.0
mw_aer_mac(iopcg8_f_c_a)=250.0
mw_aer_mac(ipcg1_f_o_a)=250.0
mw_aer_mac(ipcg2_f_o_a)=250.0
mw_aer_mac(ipcg3_f_o_a)=250.0
mw_aer_mac(ipcg4_f_o_a)=250.0
mw_aer_mac(ipcg5_f_o_a)=250.0
mw_aer_mac(ipcg6_f_o_a)=250.0
mw_aer_mac(ipcg7_f_o_a)=250.0
mw_aer_mac(ipcg8_f_o_a)=250.0
mw_aer_mac(ipcg9_f_o_a)=250.0
mw_aer_mac(iopcg1_f_o_a)=250.0
mw_aer_mac(iopcg2_f_o_a)=250.0
mw_aer_mac(iopcg3_f_o_a)=250.0
mw_aer_mac(iopcg4_f_o_a)=250.0
mw_aer_mac(iopcg5_f_o_a)=250.0
mw_aer_mac(iopcg6_f_o_a)=250.0
mw_aer_mac(iopcg7_f_o_a)=250.0
mw_aer_mac(iopcg8_f_o_a)=250.0
mw_aer_mac(ismpa_a) = 250.0
mw_aer_mac(ismpbb_a) = 250.0
mw_aer_mac(iglysoa_r1_a) = 250.0
mw_aer_mac(iglysoa_r2_a) = 250.0
mw_aer_mac(iglysoa_sfc_a) = 250.0
mw_aer_mac(iglysoa_nh4_a) = 250.0
mw_aer_mac(iglysoa_oh_a) = 250.0
mw_aer_mac(iant1_c_a) = 250.0
mw_aer_mac(iant2_c_a) = 250.0
mw_aer_mac(iant3_c_a) = 250.0
mw_aer_mac(iant4_c_a) = 250.0
mw_aer_mac(iant1_o_a) = 250.0
mw_aer_mac(iant2_o_a) = 250.0
mw_aer_mac(iant3_o_a) = 250.0
mw_aer_mac(iant4_o_a) = 250.0
mw_aer_mac(ibiog1_c_a) = 250.0
mw_aer_mac(ibiog2_c_a) = 250.0
mw_aer_mac(ibiog3_c_a) = 250.0
mw_aer_mac(ibiog4_c_a) = 250.0
mw_aer_mac(ibiog1_o_a) = 250.0
mw_aer_mac(ibiog2_o_a) = 250.0
mw_aer_mac(ibiog3_o_a) = 250.0
mw_aer_mac(ibiog4_o_a) = 250.0
mw_aer_mac(iasoaX_a) = 250.0
mw_aer_mac(iasoa1_a) = 250.0
mw_aer_mac(iasoa2_a) = 250.0
mw_aer_mac(iasoa3_a) = 250.0
mw_aer_mac(iasoa4_a) = 250.0
mw_aer_mac(ibsoaX_a) = 250.0
mw_aer_mac(ibsoa1_a) = 250.0
mw_aer_mac(ibsoa2_a) = 250.0
mw_aer_mac(ibsoa3_a) = 250.0
mw_aer_mac(ibsoa4_a) = 250.0
! molecular weights of compounds
mw_comp_a(jnh4so4) = 132.0
mw_comp_a(jlvcite) = 247.0
mw_comp_a(jnh4hso4)= 115.0
mw_comp_a(jnh4msa) = 113.0
mw_comp_a(jnh4no3) = 80.0
mw_comp_a(jnh4cl) = 53.5
mw_comp_a(jnacl) = 58.5
mw_comp_a(jnano3) = 85.0
mw_comp_a(jna2so4) = 142.0
mw_comp_a(jna3hso4)= 262.0
mw_comp_a(jnahso4) = 120.0
mw_comp_a(jnamsa) = 118.0
mw_comp_a(jcaso4) = 136.0
mw_comp_a(jcamsa2) = 230.0
mw_comp_a(jcano3) = 164.0
mw_comp_a(jcacl2) = 111.0
mw_comp_a(jcaco3) = 100.0
mw_comp_a(jh2so4) = 98.0
mw_comp_a(jhhso4) = 98.0
mw_comp_a(jhno3) = 63.0
mw_comp_a(jhcl) = 36.5
mw_comp_a(jmsa) = 96.0
mw_comp_a(joc) = 250.0
mw_comp_a(jbc) = 1.0
mw_comp_a(join) = 1.0
mw_comp_a(jh2o) = 18.0
mw_comp_a(jpcg1_b_c) =250.0
mw_comp_a(jpcg2_b_c) =250.0
mw_comp_a(jpcg3_b_c)=250.0
mw_comp_a(jpcg4_b_c)=250.0
mw_comp_a(jpcg5_b_c)=250.0
mw_comp_a(jpcg6_b_c)=250.0
mw_comp_a(jpcg7_b_c)=250.0
mw_comp_a(jpcg8_b_c)=250.0
mw_comp_a(jpcg9_b_c)=250.0
mw_comp_a(jopcg1_b_c)=250.0
mw_comp_a(jopcg2_b_c)=250.0
mw_comp_a(jopcg3_b_c)=250.0
mw_comp_a(jopcg4_b_c)=250.0
mw_comp_a(jopcg5_b_c)=250.0
mw_comp_a(jopcg6_b_c)=250.0
mw_comp_a(jopcg7_b_c)=250.0
mw_comp_a(jopcg8_b_c)=250.0
mw_comp_a(jpcg1_b_o)=250.0
mw_comp_a(jpcg2_b_o)=250.0
mw_comp_a(jpcg3_b_o)=250.0
mw_comp_a(jpcg4_b_o)=250.0
mw_comp_a(jpcg5_b_o)=250.0
mw_comp_a(jpcg6_b_o)=250.0
mw_comp_a(jpcg7_b_o)=250.0
mw_comp_a(jpcg8_b_o)=250.0
mw_comp_a(jpcg9_b_o)=250.0
mw_comp_a(jopcg1_b_o)=250.0
mw_comp_a(jopcg2_b_o)=250.0
mw_comp_a(jopcg3_b_o)=250.0
mw_comp_a(jopcg4_b_o)=250.0
mw_comp_a(jopcg5_b_o)=250.0
mw_comp_a(jopcg6_b_o)=250.0
mw_comp_a(jopcg7_b_o)=250.0
mw_comp_a(jopcg8_b_o)=250.0
mw_comp_a(jpcg1_f_c) =250.0
mw_comp_a(jpcg2_f_c) =250.0
mw_comp_a(jpcg3_f_c)=250.0
mw_comp_a(jpcg4_f_c)=250.0
mw_comp_a(jpcg5_f_c)=250.0
mw_comp_a(jpcg6_f_c)=250.0
mw_comp_a(jpcg7_f_c)=250.0
mw_comp_a(jpcg8_f_c)=250.0
mw_comp_a(jpcg9_f_c)=250.0
mw_comp_a(jopcg1_f_c)=250.0
mw_comp_a(jopcg2_f_c)=250.0
mw_comp_a(jopcg3_f_c)=250.0
mw_comp_a(jopcg4_f_c)=250.0
mw_comp_a(jopcg5_f_c)=250.0
mw_comp_a(jopcg6_f_c)=250.0
mw_comp_a(jopcg7_f_c)=250.0
mw_comp_a(jopcg8_f_c)=250.0
mw_comp_a(jpcg1_f_o)=250.0
mw_comp_a(jpcg2_f_o)=250.0
mw_comp_a(jpcg3_f_o)=250.0
mw_comp_a(jpcg4_f_o)=250.0
mw_comp_a(jpcg5_f_o)=250.0
mw_comp_a(jpcg6_f_o)=250.0
mw_comp_a(jpcg7_f_o)=250.0
mw_comp_a(jpcg8_f_o)=250.0
mw_comp_a(jpcg9_f_o)=250.0
mw_comp_a(jopcg1_f_o)=250.0
mw_comp_a(jopcg2_f_o)=250.0
mw_comp_a(jopcg3_f_o)=250.0
mw_comp_a(jopcg4_f_o)=250.0
mw_comp_a(jopcg5_f_o)=250.0
mw_comp_a(jopcg6_f_o)=250.0
mw_comp_a(jopcg7_f_o)=250.0
mw_comp_a(jopcg8_f_o)=250.0
mw_comp_a(jsmpa)=250.0
mw_comp_a(jsmpbb)=250.0
mw_comp_a(jglysoa_r1)=250.0
mw_comp_a(jglysoa_r2)=250.0
mw_comp_a(jglysoa_sfc)=250.0
mw_comp_a(jglysoa_nh4)=250.0
mw_comp_a(jglysoa_oh)=250.0
mw_comp_a(jant1_c)=250.0
mw_comp_a(jant2_c)=250.0
mw_comp_a(jant3_c)=250.0
mw_comp_a(jant4_c)=250.0
mw_comp_a(jant1_o)=250.0
mw_comp_a(jant2_o)=250.0
mw_comp_a(jant3_o)=250.0
mw_comp_a(jant4_o)=250.0
mw_comp_a(jbiog1_c)=250.0
mw_comp_a(jbiog2_c)=250.0
mw_comp_a(jbiog3_c)=250.0
mw_comp_a(jbiog4_c)=250.0
mw_comp_a(jbiog1_o)=250.0
mw_comp_a(jbiog2_o)=250.0
mw_comp_a(jbiog3_o)=250.0
mw_comp_a(jbiog4_o)=250.0
mw_comp_a(jasoaX)=250.0
mw_comp_a(jasoa1)=250.0
mw_comp_a(jasoa2)=250.0
mw_comp_a(jasoa3)=250.0
mw_comp_a(jasoa4)=250.0
mw_comp_a(jbsoaX)=250.0
mw_comp_a(jbsoa1)=250.0
mw_comp_a(jbsoa2)=250.0
mw_comp_a(jbsoa3)=250.0
mw_comp_a(jbsoa4)=250.0
! densities of generic aerosol species
dens_aer_mac(iso4_a) = 1.8 ! used
dens_aer_mac(ino3_a) = 1.8 ! used
dens_aer_mac(icl_a) = 2.2 ! used
dens_aer_mac(imsa_a) = 1.8 ! used
dens_aer_mac(ico3_a) = 2.6 ! used
dens_aer_mac(inh4_a) = 1.8 ! used
dens_aer_mac(ina_a) = 2.2 ! used
dens_aer_mac(ica_a) = 2.6 ! used
dens_aer_mac(ioin_a) = 2.6 ! used
dens_aer_mac(ioc_a) = 1.0 ! used
dens_aer_mac(ibc_a) = 1.7 ! used
dens_aer_mac(ipcg1_b_c_a) =1.0
dens_aer_mac(ipcg2_b_c_a) =1.0
dens_aer_mac(ipcg3_b_c_a)=1.0
dens_aer_mac(ipcg4_b_c_a)=1.0
dens_aer_mac(ipcg5_b_c_a)=1.0
dens_aer_mac(ipcg6_b_c_a)=1.0
dens_aer_mac(ipcg7_b_c_a)=1.0
dens_aer_mac(ipcg8_b_c_a)=1.0
dens_aer_mac(ipcg9_b_c_a)=1.0
dens_aer_mac(iopcg1_b_c_a)=1.0
dens_aer_mac(iopcg2_b_c_a)=1.0
dens_aer_mac(iopcg3_b_c_a)=1.0
dens_aer_mac(iopcg4_b_c_a)=1.0
dens_aer_mac(iopcg5_b_c_a)=1.0
dens_aer_mac(iopcg6_b_c_a)=1.0
dens_aer_mac(iopcg7_b_c_a)=1.0
dens_aer_mac(iopcg8_b_c_a)=1.0
dens_aer_mac(ipcg1_b_o_a)=1.0
dens_aer_mac(ipcg2_b_o_a)=1.0
dens_aer_mac(ipcg3_b_o_a)=1.0
dens_aer_mac(ipcg4_b_o_a)=1.0
dens_aer_mac(ipcg5_b_o_a)=1.0
dens_aer_mac(ipcg6_b_o_a)=1.0
dens_aer_mac(ipcg7_b_o_a)=1.0
dens_aer_mac(ipcg8_b_o_a)=1.0
dens_aer_mac(ipcg9_b_o_a)=1.0
dens_aer_mac(iopcg1_b_o_a)=1.0
dens_aer_mac(iopcg2_b_o_a)=1.0
dens_aer_mac(iopcg3_b_o_a)=1.0
dens_aer_mac(iopcg4_b_o_a)=1.0
dens_aer_mac(iopcg5_b_o_a)=1.0
dens_aer_mac(iopcg6_b_o_a)=1.0
dens_aer_mac(iopcg7_b_o_a)=1.0
dens_aer_mac(iopcg8_b_o_a)=1.0
dens_aer_mac(ipcg1_f_c_a) =1.0
dens_aer_mac(ipcg2_f_c_a) =1.0
dens_aer_mac(ipcg3_f_c_a)=1.0
dens_aer_mac(ipcg4_f_c_a)=1.0
dens_aer_mac(ipcg5_f_c_a)=1.0
dens_aer_mac(ipcg6_f_c_a)=1.0
dens_aer_mac(ipcg7_f_c_a)=1.0
dens_aer_mac(ipcg8_f_c_a)=1.0
dens_aer_mac(ipcg9_f_c_a)=1.0
dens_aer_mac(iopcg1_f_c_a)=1.0
dens_aer_mac(iopcg2_f_c_a)=1.0
dens_aer_mac(iopcg3_f_c_a)=1.0
dens_aer_mac(iopcg4_f_c_a)=1.0
dens_aer_mac(iopcg5_f_c_a)=1.0
dens_aer_mac(iopcg6_f_c_a)=1.0
dens_aer_mac(iopcg7_f_c_a)=1.0
dens_aer_mac(iopcg8_f_c_a)=1.0
dens_aer_mac(ipcg1_f_o_a)=1.0
dens_aer_mac(ipcg2_f_o_a)=1.0
dens_aer_mac(ipcg3_f_o_a)=1.0
dens_aer_mac(ipcg4_f_o_a)=1.0
dens_aer_mac(ipcg5_f_o_a)=1.0
dens_aer_mac(ipcg6_f_o_a)=1.0
dens_aer_mac(ipcg7_f_o_a)=1.0
dens_aer_mac(ipcg8_f_o_a)=1.0
dens_aer_mac(ipcg9_f_o_a)=1.0
dens_aer_mac(iopcg1_f_o_a)=1.0
dens_aer_mac(iopcg2_f_o_a)=1.0
dens_aer_mac(iopcg3_f_o_a)=1.0
dens_aer_mac(iopcg4_f_o_a)=1.0
dens_aer_mac(iopcg5_f_o_a)=1.0
dens_aer_mac(iopcg6_f_o_a)=1.0
dens_aer_mac(iopcg7_f_o_a)=1.0
dens_aer_mac(iopcg8_f_o_a)=1.0
dens_aer_mac(ismpa_a)=1.0
dens_aer_mac(ismpbb_a)=1.0
dens_aer_mac(iglysoa_r1_a)=1.0
dens_aer_mac(iglysoa_r2_a)=1.0
dens_aer_mac(iglysoa_sfc_a)=1.0
dens_aer_mac(iglysoa_nh4_a)=1.0
dens_aer_mac(iglysoa_oh_a)=1.0
dens_aer_mac(iant1_c_a)=1.0
dens_aer_mac(iant2_c_a)=1.0
dens_aer_mac(iant3_c_a)=1.0
dens_aer_mac(iant4_c_a)=1.0
dens_aer_mac(iant1_o_a)=1.0
dens_aer_mac(iant2_o_a)=1.0
dens_aer_mac(iant3_o_a)=1.0
dens_aer_mac(iant4_o_a)=1.0
dens_aer_mac(ibiog1_c_a)=1.0
dens_aer_mac(ibiog2_c_a)=1.0
dens_aer_mac(ibiog3_c_a)=1.0
dens_aer_mac(ibiog4_c_a)=1.0
dens_aer_mac(ibiog1_o_a)=1.0
dens_aer_mac(ibiog2_o_a)=1.0
dens_aer_mac(ibiog3_o_a)=1.0
dens_aer_mac(ibiog4_o_a)=1.0
dens_aer_mac(iasoaX_a)=1.5
dens_aer_mac(iasoa1_a)=1.5
dens_aer_mac(iasoa2_a)=1.5
dens_aer_mac(iasoa3_a)=1.5
dens_aer_mac(iasoa4_a)=1.5
dens_aer_mac(ibsoaX_a)=1.5
dens_aer_mac(ibsoa1_a)=1.5
dens_aer_mac(ibsoa2_a)=1.5
dens_aer_mac(ibsoa3_a)=1.5
dens_aer_mac(ibsoa4_a)=1.5
! partial molar volumes of condensing species
partial_molar_vol(ih2so4_g) = 51.83
partial_molar_vol(ihno3_g) = 31.45
partial_molar_vol(ihcl_g) = 20.96
partial_molar_vol(inh3_g) = 24.03
partial_molar_vol(imsa_g) = 53.33
partial_molar_vol(ipcg1_b_c_g) =250.0
partial_molar_vol(ipcg2_b_c_g) =250.0
partial_molar_vol(ipcg3_b_c_g)=250.0
partial_molar_vol(ipcg4_b_c_g)=250.0
partial_molar_vol(ipcg5_b_c_g)=250.0
partial_molar_vol(ipcg6_b_c_g)=250.0
partial_molar_vol(ipcg7_b_c_g)=250.0
partial_molar_vol(ipcg8_b_c_g)=250.0
partial_molar_vol(ipcg9_b_c_g)=250.0
partial_molar_vol(iopcg1_b_c_g)=250.0
partial_molar_vol(iopcg2_b_c_g)=250.0
partial_molar_vol(iopcg3_b_c_g)=250.0
partial_molar_vol(iopcg4_b_c_g)=250.0
partial_molar_vol(iopcg5_b_c_g)=250.0
partial_molar_vol(iopcg6_b_c_g)=250.0
partial_molar_vol(iopcg7_b_c_g)=250.0
partial_molar_vol(iopcg8_b_c_g)=250.0
partial_molar_vol(ipcg1_b_o_g)=250.0
partial_molar_vol(ipcg2_b_o_g)=250.0
partial_molar_vol(ipcg3_b_o_g)=250.0
partial_molar_vol(ipcg4_b_o_g)=250.0
partial_molar_vol(ipcg5_b_o_g)=250.0
partial_molar_vol(ipcg6_b_o_g)=250.0
partial_molar_vol(ipcg7_b_o_g)=250.0
partial_molar_vol(ipcg8_b_o_g)=250.0
partial_molar_vol(ipcg9_b_o_g)=250.0
partial_molar_vol(iopcg1_b_o_g)=250.0
partial_molar_vol(iopcg2_b_o_g)=250.0
partial_molar_vol(iopcg3_b_o_g)=250.0
partial_molar_vol(iopcg4_b_o_g)=250.0
partial_molar_vol(iopcg5_b_o_g)=250.0
partial_molar_vol(iopcg6_b_o_g)=250.0
partial_molar_vol(iopcg7_b_o_g)=250.0
partial_molar_vol(iopcg8_b_o_g)=250.0
partial_molar_vol(ipcg1_f_c_g) =250.0
partial_molar_vol(ipcg2_f_c_g) =250.0
partial_molar_vol(ipcg3_f_c_g)=250.0
partial_molar_vol(ipcg4_f_c_g)=250.0
partial_molar_vol(ipcg5_f_c_g)=250.0
partial_molar_vol(ipcg6_f_c_g)=250.0
partial_molar_vol(ipcg7_f_c_g)=250.0
partial_molar_vol(ipcg8_f_c_g)=250.0
partial_molar_vol(ipcg9_f_c_g)=250.0
partial_molar_vol(iopcg1_f_c_g)=250.0
partial_molar_vol(iopcg2_f_c_g)=250.0
partial_molar_vol(iopcg3_f_c_g)=250.0
partial_molar_vol(iopcg4_f_c_g)=250.0
partial_molar_vol(iopcg5_f_c_g)=250.0
partial_molar_vol(iopcg6_f_c_g)=250.0
partial_molar_vol(iopcg7_f_c_g)=250.0
partial_molar_vol(iopcg8_f_c_g)=250.0
partial_molar_vol(ipcg1_f_o_g)=250.0
partial_molar_vol(ipcg2_f_o_g)=250.0
partial_molar_vol(ipcg3_f_o_g)=250.0
partial_molar_vol(ipcg4_f_o_g)=250.0
partial_molar_vol(ipcg5_f_o_g)=250.0
partial_molar_vol(ipcg6_f_o_g)=250.0
partial_molar_vol(ipcg7_f_o_g)=250.0
partial_molar_vol(ipcg8_f_o_g)=250.0
partial_molar_vol(ipcg9_f_o_g)=250.0
partial_molar_vol(iopcg1_f_o_g)=250.0
partial_molar_vol(iopcg2_f_o_g)=250.0
partial_molar_vol(iopcg3_f_o_g)=250.0
partial_molar_vol(iopcg4_f_o_g)=250.0
partial_molar_vol(iopcg5_f_o_g)=250.0
partial_molar_vol(iopcg6_f_o_g)=250.0
partial_molar_vol(iopcg7_f_o_g)=250.0
partial_molar_vol(iopcg8_f_o_g)=250.0
partial_molar_vol(ismpa_g)=250.0
partial_molar_vol(ismpbb_g)=250.0
partial_molar_vol(iant1_c_g)=250.0
partial_molar_vol(iant2_c_g)=250.0
partial_molar_vol(iant3_c_g)=250.0
partial_molar_vol(iant4_c_g)=250.0
partial_molar_vol(iant1_o_g)=250.0
partial_molar_vol(iant2_o_g)=250.0
partial_molar_vol(iant3_o_g)=250.0
partial_molar_vol(iant4_o_g)=250.0
partial_molar_vol(ibiog1_c_g)=250.0
partial_molar_vol(ibiog2_c_g)=250.0
partial_molar_vol(ibiog3_c_g)=250.0
partial_molar_vol(ibiog4_c_g)=250.0
partial_molar_vol(ibiog1_o_g)=250.0
partial_molar_vol(ibiog2_o_g)=250.0
partial_molar_vol(ibiog3_o_g)=250.0
partial_molar_vol(ibiog4_o_g)=250.0
partial_molar_vol(in2o5_g) = 200.0 ! assumed...
partial_molar_vol(iclno2_g) = 200.0 ! assumed...
partial_molar_vol(iasoaX_g)=250.0
partial_molar_vol(iasoa1_g)=250.0
partial_molar_vol(iasoa2_g)=250.0
partial_molar_vol(iasoa3_g)=250.0
partial_molar_vol(iasoa4_g)=250.0
partial_molar_vol(ibsoaX_g)=250.0
partial_molar_vol(ibsoa1_g)=250.0
partial_molar_vol(ibsoa2_g)=250.0
partial_molar_vol(ibsoa3_g)=250.0
partial_molar_vol(ibsoa4_g)=250.0
partial_molar_vol(igly)=58.0
partial_molar_vol(iho)=17.0
! refractive index
ref_index_a(jnh4so4) = cmplx(1.52,0.)
ref_index_a(jlvcite) = cmplx(1.50,0.)
ref_index_a(jnh4hso4)= cmplx(1.47,0.)
ref_index_a(jnh4msa) = cmplx(1.50,0.) ! assumed
ref_index_a(jnh4no3) = cmplx(1.50,0.)
ref_index_a(jnh4cl) = cmplx(1.50,0.)
ref_index_a(jnacl) = cmplx(1.45,0.)
ref_index_a(jnano3) = cmplx(1.50,0.)
ref_index_a(jna2so4) = cmplx(1.50,0.)
ref_index_a(jna3hso4)= cmplx(1.50,0.)
ref_index_a(jnahso4) = cmplx(1.50,0.)
ref_index_a(jnamsa) = cmplx(1.50,0.) ! assumed
ref_index_a(jcaso4) = cmplx(1.56,0.006)
ref_index_a(jcamsa2) = cmplx(1.56,0.006) ! assumed
ref_index_a(jcano3) = cmplx(1.56,0.006)
ref_index_a(jcacl2) = cmplx(1.52,0.006)
ref_index_a(jcaco3) = cmplx(1.68,0.006)
ref_index_a(jh2so4) = cmplx(1.43,0.)
ref_index_a(jhhso4) = cmplx(1.43,0.)
ref_index_a(jhno3) = cmplx(1.50,0.)
ref_index_a(jhcl) = cmplx(1.50,0.)
ref_index_a(jmsa) = cmplx(1.43,0.) ! assumed
ref_index_a(joc) = cmplx(1.45,0.)
ref_index_a(jbc) = cmplx(1.82,0.74)
ref_index_a(join) = cmplx(1.55,0.006)
ref_index_a(jh2o) = cmplx(1.33,0.)
! jsalt_index
jsalt_index(jnh4so4) = 5 ! as
jsalt_index(jlvcite) = 2 ! lv
jsalt_index(jnh4hso4)= 1 ! ab
jsalt_index(jnh4no3) = 2 ! an
jsalt_index(jnh4cl) = 1 ! ac
jsalt_index(jna2so4) = 60 ! ss
jsalt_index(jnahso4) = 10 ! sb
jsalt_index(jnano3) = 40 ! sn
jsalt_index(jnacl) = 10 ! sc
jsalt_index(jcano3) = 120 ! cn
jsalt_index(jcacl2) = 80 ! cc
jsalt_index(jnh4msa) = 0 ! AM zero for now
jsalt_index(jnamsa) = 0 ! SM zero for now
jsalt_index(jcamsa2) = 0 ! CM zero for now
! aerosol indices
! ac = 1, an = 2, as = 5, sc = 10, sn = 40, ss = 60, cc = 80, cn = 120,
! ab = 1, lv = 2, sb = 10
!
! sulfate-poor domain
jsulf_poor(1) = 1 ! ac
jsulf_poor(2) = 2 ! an
jsulf_poor(5) = 3 ! as
jsulf_poor(10) = 4 ! sc
jsulf_poor(40) = 5 ! sn
jsulf_poor(60) = 6 ! ss
jsulf_poor(80) = 7 ! cc
jsulf_poor(120) = 8 ! cn
jsulf_poor(3) = 9 ! an + ac
jsulf_poor(6) = 10 ! as + ac
jsulf_poor(7) = 11 ! as + an
jsulf_poor(8) = 12 ! as + an + ac
jsulf_poor(11) = 13 ! sc + ac
jsulf_poor(41) = 14 ! sn + ac
jsulf_poor(42) = 15 ! sn + an
jsulf_poor(43) = 16 ! sn + an + ac
jsulf_poor(50) = 17 ! sn + sc
jsulf_poor(51) = 18 ! sn + sc + ac
jsulf_poor(61) = 19 ! ss + ac
jsulf_poor(62) = 20 ! ss + an
jsulf_poor(63) = 21 ! ss + an + ac
jsulf_poor(65) = 22 ! ss + as
jsulf_poor(66) = 23 ! ss + as + ac
jsulf_poor(67) = 24 ! ss + as + an
jsulf_poor(68) = 25 ! ss + as + an + ac
jsulf_poor(70) = 26 ! ss + sc
jsulf_poor(71) = 27 ! ss + sc + ac
jsulf_poor(100) = 28 ! ss + sn
jsulf_poor(101) = 29 ! ss + sn + ac
jsulf_poor(102) = 30 ! ss + sn + an
jsulf_poor(103) = 31 ! ss + sn + an + ac
jsulf_poor(110) = 32 ! ss + sn + sc
jsulf_poor(111) = 33 ! ss + sn + sc + ac
jsulf_poor(81) = 34 ! cc + ac
jsulf_poor(90) = 35 ! cc + sc
jsulf_poor(91) = 36 ! cc + sc + ac
jsulf_poor(121) = 37 ! cn + ac
jsulf_poor(122) = 38 ! cn + an
jsulf_poor(123) = 39 ! cn + an + ac
jsulf_poor(130) = 40 ! cn + sc
jsulf_poor(131) = 41 ! cn + sc + ac
jsulf_poor(160) = 42 ! cn + sn
jsulf_poor(161) = 43 ! cn + sn + ac
jsulf_poor(162) = 44 ! cn + sn + an
jsulf_poor(163) = 45 ! cn + sn + an + ac
jsulf_poor(170) = 46 ! cn + sn + sc
jsulf_poor(171) = 47 ! cn + sn + sc + ac
jsulf_poor(200) = 48 ! cn + cc
jsulf_poor(201) = 49 ! cn + cc + ac
jsulf_poor(210) = 50 ! cn + cc + sc
jsulf_poor(211) = 51 ! cn + cc + sc + ac
!
! sulfate-rich domain
jsulf_rich(1) = 52 ! ab
jsulf_rich(2) = 53 ! lv
jsulf_rich(10) = 54 ! sb
jsulf_rich(3) = 55 ! ab + lv
jsulf_rich(7) = 56 ! as + lv
jsulf_rich(70) = 57 ! ss + sb
jsulf_rich(62) = 58 ! ss + lv
jsulf_rich(67) = 59 ! ss + as + lv
jsulf_rich(61) = 60 ! ss + ab
jsulf_rich(63) = 61 ! ss + lv + ab
jsulf_rich(11) = 62 ! sb + ab
jsulf_rich(71) = 63 ! ss + sb + ab
jsulf_rich(5) = 3 ! as
jsulf_rich(60) = 6 ! ss
jsulf_rich(65) = 22 ! ss + as
!
! polynomial coefficients for binary molality (used in zsr equation)
!
!
! a_zsr for aw < 0.97
!
! (nh4)2so4
je = jnh4so4
a_zsr(1,je) = 1.30894
a_zsr(2,je) = -7.09922
a_zsr(3,je) = 20.62831
a_zsr(4,je) = -32.19965
a_zsr(5,je) = 25.17026
a_zsr(6,je) = -7.81632
aw_min(je) = 0.1
!
! (nh4)3h(so4)2
je = jlvcite
a_zsr(1,je) = 1.10725
a_zsr(2,je) = -5.17978
a_zsr(3,je) = 12.29534
a_zsr(4,je) = -16.32545
a_zsr(5,je) = 11.29274
a_zsr(6,je) = -3.19164
aw_min(je) = 0.1
!
! nh4hso4
je = jnh4hso4
a_zsr(1,je) = 1.15510
a_zsr(2,je) = -3.20815
a_zsr(3,je) = 2.71141
a_zsr(4,je) = 2.01155
a_zsr(5,je) = -4.71014
a_zsr(6,je) = 2.04616
aw_min(je) = 0.1
!
! nh4msa (assumed same as nh4hso4)
je = jnh4msa
a_zsr(1,je) = 1.15510
a_zsr(2,je) = -3.20815
a_zsr(3,je) = 2.71141
a_zsr(4,je) = 2.01155
a_zsr(5,je) = -4.71014
a_zsr(6,je) = 2.04616
aw_min(je) = 0.1
!
! nh4no3
je = jnh4no3
a_zsr(1,je) = 0.43507
a_zsr(2,je) = 6.38220
a_zsr(3,je) = -30.19797
a_zsr(4,je) = 53.36470
a_zsr(5,je) = -43.44203
a_zsr(6,je) = 13.46158
aw_min(je) = 0.1
!
! nh4cl: revised on nov 13, 2003. based on chan and ha (1999) jgr.
je = jnh4cl
a_zsr(1,je) = 0.45309
a_zsr(2,je) = 2.65606
a_zsr(3,je) = -14.7730
a_zsr(4,je) = 26.2936
a_zsr(5,je) = -20.5735
a_zsr(6,je) = 5.94255
aw_min(je) = 0.1
!
! nacl
je = jnacl
a_zsr(1,je) = 0.42922
a_zsr(2,je) = -1.17718
a_zsr(3,je) = 2.80208
a_zsr(4,je) = -4.51097
a_zsr(5,je) = 3.76963
a_zsr(6,je) = -1.31359
aw_min(je) = 0.1
!
! nano3
je = jnano3
a_zsr(1,je) = 1.34966
a_zsr(2,je) = -5.20116
a_zsr(3,je) = 11.49011
a_zsr(4,je) = -14.41380
a_zsr(5,je) = 9.07037
a_zsr(6,je) = -2.29769
aw_min(je) = 0.1
!
! na2so4
je = jna2so4
a_zsr(1,je) = 0.39888
a_zsr(2,je) = -1.27150
a_zsr(3,je) = 3.42792
a_zsr(4,je) = -5.92632
a_zsr(5,je) = 5.33351
a_zsr(6,je) = -1.96541
aw_min(je) = 0.1
!
! na3h(so4)2 added on 1/14/2004
je = jna3hso4
a_zsr(1,je) = 0.31480
a_zsr(2,je) = -1.01087
a_zsr(3,je) = 2.44029
a_zsr(4,je) = -3.66095
a_zsr(5,je) = 2.77632
a_zsr(6,je) = -0.86058
aw_min(je) = 0.1
!
! nahso4
je = jnahso4
a_zsr(1,je) = 0.62764
a_zsr(2,je) = -1.63520
a_zsr(3,je) = 4.62531
a_zsr(4,je) = -10.06925
a_zsr(5,je) = 10.33547
a_zsr(6,je) = -3.88729
aw_min(je) = 0.1
!
! namsa (assumed same as nahso4)
je = jnamsa
a_zsr(1,je) = 0.62764
a_zsr(2,je) = -1.63520
a_zsr(3,je) = 4.62531
a_zsr(4,je) = -10.06925
a_zsr(5,je) = 10.33547
a_zsr(6,je) = -3.88729
aw_min(je) = 0.1
!
! ca(no3)2
je = jcano3
a_zsr(1,je) = 0.38895
a_zsr(2,je) = -1.16013
a_zsr(3,je) = 2.16819
a_zsr(4,je) = -2.23079
a_zsr(5,je) = 1.00268
a_zsr(6,je) = -0.16923
aw_min(je) = 0.1
!
! cacl2: kim and seinfeld
je = jcacl2
a_zsr(1,je) = 0.29891
a_zsr(2,je) = -1.31104
a_zsr(3,je) = 3.68759
a_zsr(4,je) = -5.81708
a_zsr(5,je) = 4.67520
a_zsr(6,je) = -1.53223
aw_min(je) = 0.1
!
! h2so4
je = jh2so4
a_zsr(1,je) = 0.32751
a_zsr(2,je) = -1.00692
a_zsr(3,je) = 2.59750
a_zsr(4,je) = -4.40014
a_zsr(5,je) = 3.88212
a_zsr(6,je) = -1.39916
aw_min(je) = 0.1
!
! msa (assumed same as h2so4)
je = jmsa
a_zsr(1,je) = 0.32751
a_zsr(2,je) = -1.00692
a_zsr(3,je) = 2.59750
a_zsr(4,je) = -4.40014
a_zsr(5,je) = 3.88212
a_zsr(6,je) = -1.39916
aw_min(je) = 0.1
!
! hhso4
je = jhhso4
a_zsr(1,je) = 0.32751
a_zsr(2,je) = -1.00692
a_zsr(3,je) = 2.59750
a_zsr(4,je) = -4.40014
a_zsr(5,je) = 3.88212
a_zsr(6,je) = -1.39916
aw_min(je) = 1.0
!
! hno3
je = jhno3
a_zsr(1,je) = 0.75876
a_zsr(2,je) = -3.31529
a_zsr(3,je) = 9.26392
a_zsr(4,je) = -14.89799
a_zsr(5,je) = 12.08781
a_zsr(6,je) = -3.89958
aw_min(je) = 0.1
!
! hcl
je = jhcl
a_zsr(1,je) = 0.31133
a_zsr(2,je) = -0.79688
a_zsr(3,je) = 1.93995
a_zsr(4,je) = -3.31582
a_zsr(5,je) = 2.93513
a_zsr(6,je) = -1.07268
aw_min(je) = 0.1
!
! caso4
je = jcaso4
a_zsr(1,je) = 0.0
a_zsr(2,je) = 0.0
a_zsr(3,je) = 0.0
a_zsr(4,je) = 0.0
a_zsr(5,je) = 0.0
a_zsr(6,je) = 0.0
aw_min(je) = 1.0
!
! ca(msa)2 (assumed same as ca(no3)2)
je = jcamsa2
a_zsr(1,je) = 0.38895
a_zsr(2,je) = -1.16013
a_zsr(3,je) = 2.16819
a_zsr(4,je) = -2.23079
a_zsr(5,je) = 1.00268
a_zsr(6,je) = -0.16923
aw_min(je) = 0.1
!
! caco3
je = jcaco3
a_zsr(1,je) = 0.0
a_zsr(2,je) = 0.0
a_zsr(3,je) = 0.0
a_zsr(4,je) = 0.0
a_zsr(5,je) = 0.0
a_zsr(6,je) = 0.0
aw_min(je) = 1.0
!-------------------------------------------
! b_zsr for aw => 0.97 to 0.99999
!
! (nh4)2so4
b_zsr(jnh4so4) = 28.0811
!
! (nh4)3h(so4)2
b_zsr(jlvcite) = 14.7178
!
! nh4hso4
b_zsr(jnh4hso4) = 29.4779
!
! nh4msa
b_zsr(jnh4msa) = 29.4779 ! assumed same as nh4hso4
!
! nh4no3
b_zsr(jnh4no3) = 33.4049
!
! nh4cl
b_zsr(jnh4cl) = 30.8888
!
! nacl
b_zsr(jnacl) = 29.8375
!
! nano3
b_zsr(jnano3) = 32.2756
!
! na2so4
b_zsr(jna2so4) = 27.6889
!
! na3h(so4)2
b_zsr(jna3hso4) = 14.2184
!
! nahso4
b_zsr(jnahso4) = 28.3367
!
! namsa
b_zsr(jnamsa) = 28.3367 ! assumed same as nahso4
!
! ca(no3)2
b_zsr(jcano3) = 18.3661
!
! cacl2
b_zsr(jcacl2) = 20.8792
!
! h2so4
b_zsr(jh2so4) = 26.7347
!
! hhso4
b_zsr(jhhso4) = 26.7347
!
! hno3
b_zsr(jhno3) = 28.8257
!
! hcl
b_zsr(jhcl) = 27.7108
!
! msa
b_zsr(jmsa) = 26.7347 ! assumed same as h2so4
!
! caso4
b_zsr(jcaso4) = 0.0
!
! ca(msa)2
b_zsr(jcamsa2) = 18.3661 ! assumed same as Ca(NO3)2
!
! caco3
b_zsr(jcaco3) = 0.0
!----------------------------------------------------------------
! parameters for mtem mixing rule (zaveri, easter, and wexler, 2005)
! log_gamz(ja,je) a in e
!----------------------------------------------------------------
!
! (nh4)2so4 in e
ja = jnh4so4
! in (nh4)2so4
je = jnh4so4
b_mtem(1,ja,je) = -2.94685
b_mtem(2,ja,je) = 17.3328
b_mtem(3,ja,je) = -64.8441
b_mtem(4,ja,je) = 122.7070
b_mtem(5,ja,je) = -114.4373
b_mtem(6,ja,je) = 41.6811
! in nh4no3
je = jnh4no3
b_mtem(1,ja,je) = -2.7503
b_mtem(2,ja,je) = 4.3806
b_mtem(3,ja,je) = -1.1110
b_mtem(4,ja,je) = -1.7005
b_mtem(5,ja,je) = -4.4207
b_mtem(6,ja,je) = 5.1990
! in nh4cl (revised on 11/15/2003)
je = jnh4cl
b_mtem(1,ja,je) = -2.06952
b_mtem(2,ja,je) = 7.1240
b_mtem(3,ja,je) = -24.4274
b_mtem(4,ja,je) = 51.1458
b_mtem(5,ja,je) = -54.2056
b_mtem(6,ja,je) = 22.0606
! in na2so4
je = jna2so4
b_mtem(1,ja,je) = -2.17361
b_mtem(2,ja,je) = 15.9919
b_mtem(3,ja,je) = -69.0952
b_mtem(4,ja,je) = 139.8860
b_mtem(5,ja,je) = -134.9890
b_mtem(6,ja,je) = 49.8877
! in nano3
je = jnano3
b_mtem(1,ja,je) = -4.4370
b_mtem(2,ja,je) = 24.0243
b_mtem(3,ja,je) = -76.2437
b_mtem(4,ja,je) = 128.6660
b_mtem(5,ja,je) = -110.0900
b_mtem(6,ja,je) = 37.7414
! in nacl
je = jnacl
b_mtem(1,ja,je) = -1.5394
b_mtem(2,ja,je) = 5.8671
b_mtem(3,ja,je) = -22.7726
b_mtem(4,ja,je) = 47.0547
b_mtem(5,ja,je) = -47.8266
b_mtem(6,ja,je) = 18.8489
! in hno3
je = jhno3
b_mtem(1,ja,je) = -0.35750
b_mtem(2,ja,je) = -3.82466
b_mtem(3,ja,je) = 4.55462
b_mtem(4,ja,je) = 5.05402
b_mtem(5,ja,je) = -14.7476
b_mtem(6,ja,je) = 8.8009
! in hcl
je = jhcl
b_mtem(1,ja,je) = -2.15146
b_mtem(2,ja,je) = 5.50205
b_mtem(3,ja,je) = -19.1476
b_mtem(4,ja,je) = 39.1880
b_mtem(5,ja,je) = -39.9460
b_mtem(6,ja,je) = 16.0700
! in h2so4
je = jh2so4
b_mtem(1,ja,je) = -2.52604
b_mtem(2,ja,je) = 9.76022
b_mtem(3,ja,je) = -35.2540
b_mtem(4,ja,je) = 71.2981
b_mtem(5,ja,je) = -71.8207
b_mtem(6,ja,je) = 28.0758
!
! in nh4hso4
je = jnh4hso4
b_mtem(1,ja,je) = -4.13219
b_mtem(2,ja,je) = 13.8863
b_mtem(3,ja,je) = -34.5387
b_mtem(4,ja,je) = 56.5012
b_mtem(5,ja,je) = -51.8702
b_mtem(6,ja,je) = 19.6232
!
! in (nh4)3h(so4)2
je = jlvcite
b_mtem(1,ja,je) = -2.53482
b_mtem(2,ja,je) = 12.3333
b_mtem(3,ja,je) = -46.1020
b_mtem(4,ja,je) = 90.4775
b_mtem(5,ja,je) = -88.1254
b_mtem(6,ja,je) = 33.4715
!
! in nahso4
je = jnahso4
b_mtem(1,ja,je) = -3.23425
b_mtem(2,ja,je) = 18.7842
b_mtem(3,ja,je) = -78.7807
b_mtem(4,ja,je) = 161.517
b_mtem(5,ja,je) = -154.940
b_mtem(6,ja,je) = 56.2252
!
! in na3h(so4)2
je = jna3hso4
b_mtem(1,ja,je) = -1.25316
b_mtem(2,ja,je) = 7.40960
b_mtem(3,ja,je) = -34.8929
b_mtem(4,ja,je) = 72.8853
b_mtem(5,ja,je) = -72.4503
b_mtem(6,ja,je) = 27.7706
!-----------------
! nh4no3 in e
ja = jnh4no3
! in (nh4)2so4
je = jnh4so4
b_mtem(1,ja,je) = -3.5201
b_mtem(2,ja,je) = 21.6584
b_mtem(3,ja,je) = -72.1499
b_mtem(4,ja,je) = 126.7000
b_mtem(5,ja,je) = -111.4550
b_mtem(6,ja,je) = 38.5677
! in nh4no3
je = jnh4no3
b_mtem(1,ja,je) = -2.2630
b_mtem(2,ja,je) = -0.1518
b_mtem(3,ja,je) = 17.0898
b_mtem(4,ja,je) = -36.7832
b_mtem(5,ja,je) = 29.8407
b_mtem(6,ja,je) = -7.9314
! in nh4cl (revised on 11/15/2003)
je = jnh4cl
b_mtem(1,ja,je) = -1.3851
b_mtem(2,ja,je) = -0.4462
b_mtem(3,ja,je) = 8.4567
b_mtem(4,ja,je) = -11.5988
b_mtem(5,ja,je) = 2.9802
b_mtem(6,ja,je) = 1.8132
! in na2so4
je = jna2so4
b_mtem(1,ja,je) = -1.7602
b_mtem(2,ja,je) = 10.4044
b_mtem(3,ja,je) = -35.5894
b_mtem(4,ja,je) = 64.3584
b_mtem(5,ja,je) = -57.8931
b_mtem(6,ja,je) = 20.2141
! in nano3
je = jnano3
b_mtem(1,ja,je) = -3.24346
b_mtem(2,ja,je) = 16.2794
b_mtem(3,ja,je) = -48.7601
b_mtem(4,ja,je) = 79.2246
b_mtem(5,ja,je) = -65.8169
b_mtem(6,ja,je) = 22.1500
! in nacl
je = jnacl
b_mtem(1,ja,je) = -1.75658
b_mtem(2,ja,je) = 7.71384
b_mtem(3,ja,je) = -22.7984
b_mtem(4,ja,je) = 39.1532
b_mtem(5,ja,je) = -34.6165
b_mtem(6,ja,je) = 12.1283
! in ca(no3)2
je = jcano3
b_mtem(1,ja,je) = -0.97178
b_mtem(2,ja,je) = 6.61964
b_mtem(3,ja,je) = -26.2353
b_mtem(4,ja,je) = 50.5259
b_mtem(5,ja,je) = -47.6586
b_mtem(6,ja,je) = 17.5074
! in cacl2 added on 12/22/2003
je = jcacl2
b_mtem(1,ja,je) = -0.41515
b_mtem(2,ja,je) = 6.44101
b_mtem(3,ja,je) = -26.4473
b_mtem(4,ja,je) = 49.0718
b_mtem(5,ja,je) = -44.2631
b_mtem(6,ja,je) = 15.3771
! in hno3
je = jhno3
b_mtem(1,ja,je) = -1.20644
b_mtem(2,ja,je) = 5.70117
b_mtem(3,ja,je) = -18.2783
b_mtem(4,ja,je) = 31.7199
b_mtem(5,ja,je) = -27.8703
b_mtem(6,ja,je) = 9.7299
! in hcl
je = jhcl
b_mtem(1,ja,je) = -0.680862
b_mtem(2,ja,je) = 3.59456
b_mtem(3,ja,je) = -10.7969
b_mtem(4,ja,je) = 17.8434
b_mtem(5,ja,je) = -15.3165
b_mtem(6,ja,je) = 5.17123
!----------
! nh4cl in e
ja = jnh4cl
! in (nh4)2so4
je = jnh4so4
b_mtem(1,ja,je) = -2.8850
b_mtem(2,ja,je) = 20.6970
b_mtem(3,ja,je) = -70.6810
b_mtem(4,ja,je) = 124.3690
b_mtem(5,ja,je) = -109.2880
b_mtem(6,ja,je) = 37.5831
! in nh4no3
je = jnh4no3
b_mtem(1,ja,je) = -1.9386
b_mtem(2,ja,je) = 1.3238
b_mtem(3,ja,je) = 11.8500
b_mtem(4,ja,je) = -28.1168
b_mtem(5,ja,je) = 21.8543
b_mtem(6,ja,je) = -5.1671
! in nh4cl (revised on 11/15/2003)
je = jnh4cl
b_mtem(1,ja,je) = -0.9559
b_mtem(2,ja,je) = 0.8121
b_mtem(3,ja,je) = 4.3644
b_mtem(4,ja,je) = -8.9258
b_mtem(5,ja,je) = 4.2362
b_mtem(6,ja,je) = 0.2891
! in na2so4
je = jna2so4
b_mtem(1,ja,je) = 0.0377
b_mtem(2,ja,je) = 6.0752
b_mtem(3,ja,je) = -30.8641
b_mtem(4,ja,je) = 63.3095
b_mtem(5,ja,je) = -61.0070
b_mtem(6,ja,je) = 22.1734
! in nano3
je = jnano3
b_mtem(1,ja,je) = -1.8336
b_mtem(2,ja,je) = 12.8160
b_mtem(3,ja,je) = -42.3388
b_mtem(4,ja,je) = 71.1816
b_mtem(5,ja,je) = -60.5708
b_mtem(6,ja,je) = 20.5853
! in nacl
je = jnacl
b_mtem(1,ja,je) = -0.1429
b_mtem(2,ja,je) = 2.3561
b_mtem(3,ja,je) = -10.4425
b_mtem(4,ja,je) = 20.8951
b_mtem(5,ja,je) = -20.7739
b_mtem(6,ja,je) = 7.9355
! in ca(no3)2
je = jcano3
b_mtem(1,ja,je) = 0.76235
b_mtem(2,ja,je) = 3.08323
b_mtem(3,ja,je) = -23.6772
b_mtem(4,ja,je) = 53.7415
b_mtem(5,ja,je) = -55.4043
b_mtem(6,ja,je) = 21.2944
! in cacl2 (revised on 11/27/2003)
je = jcacl2
b_mtem(1,ja,je) = 1.13864
b_mtem(2,ja,je) = -0.340539
b_mtem(3,ja,je) = -8.67025
b_mtem(4,ja,je) = 22.8008
b_mtem(5,ja,je) = -24.5181
b_mtem(6,ja,je) = 9.3663
! in hno3
je = jhno3
b_mtem(1,ja,je) = 2.42532
b_mtem(2,ja,je) = -14.1755
b_mtem(3,ja,je) = 38.804
b_mtem(4,ja,je) = -58.2437
b_mtem(5,ja,je) = 43.5431
b_mtem(6,ja,je) = -12.5824
! in hcl
je = jhcl
b_mtem(1,ja,je) = 0.330337
b_mtem(2,ja,je) = 0.0778934
b_mtem(3,ja,je) = -2.30492
b_mtem(4,ja,je) = 4.73003
b_mtem(5,ja,je) = -4.80849
b_mtem(6,ja,je) = 1.78866
!----------
! na2so4 in e
ja = jna2so4
! in (nh4)2so4
je = jnh4so4
b_mtem(1,ja,je) = -2.6982
b_mtem(2,ja,je) = 22.9875
b_mtem(3,ja,je) = -98.9840
b_mtem(4,ja,je) = 198.0180
b_mtem(5,ja,je) = -188.7270
b_mtem(6,ja,je) = 69.0548
! in nh4no3
je = jnh4no3
b_mtem(1,ja,je) = -2.4844
b_mtem(2,ja,je) = 6.5420
b_mtem(3,ja,je) = -9.8998
b_mtem(4,ja,je) = 11.3884
b_mtem(5,ja,je) = -13.6842
b_mtem(6,ja,je) = 7.7411
! in nh4cl (revised on 11/15/2003)
je = jnh4cl
b_mtem(1,ja,je) = -1.3325
b_mtem(2,ja,je) = 13.0406
b_mtem(3,ja,je) = -56.1935
b_mtem(4,ja,je) = 107.1170
b_mtem(5,ja,je) = -97.3721
b_mtem(6,ja,je) = 34.3763
! in na2so4
je = jna2so4
b_mtem(1,ja,je) = -1.2832
b_mtem(2,ja,je) = 12.8526
b_mtem(3,ja,je) = -62.2087
b_mtem(4,ja,je) = 130.3876
b_mtem(5,ja,je) = -128.2627
b_mtem(6,ja,je) = 48.0340
! in nano3
je = jnano3
b_mtem(1,ja,je) = -3.5384
b_mtem(2,ja,je) = 21.3758
b_mtem(3,ja,je) = -70.7638
b_mtem(4,ja,je) = 121.1580
b_mtem(5,ja,je) = -104.6230
b_mtem(6,ja,je) = 36.0557
! in nacl
je = jnacl
b_mtem(1,ja,je) = 0.2175
b_mtem(2,ja,je) = -0.5648
b_mtem(3,ja,je) = -8.0288
b_mtem(4,ja,je) = 25.9734
b_mtem(5,ja,je) = -32.3577
b_mtem(6,ja,je) = 14.3924
! in hno3
je = jhno3
b_mtem(1,ja,je) = -0.309617
b_mtem(2,ja,je) = -1.82899
b_mtem(3,ja,je) = -1.5505
b_mtem(4,ja,je) = 13.3847
b_mtem(5,ja,je) = -20.1284
b_mtem(6,ja,je) = 9.93163
! in hcl
je = jhcl
b_mtem(1,ja,je) = -0.259455
b_mtem(2,ja,je) = -0.819366
b_mtem(3,ja,je) = -4.28964
b_mtem(4,ja,je) = 16.4305
b_mtem(5,ja,je) = -21.8546
b_mtem(6,ja,je) = 10.3044
! in h2so4
je = jh2so4
b_mtem(1,ja,je) = -1.84257
b_mtem(2,ja,je) = 7.85788
b_mtem(3,ja,je) = -29.9275
b_mtem(4,ja,je) = 61.7515
b_mtem(5,ja,je) = -63.2308
b_mtem(6,ja,je) = 24.9542
! in nh4hso4
je = jnh4hso4
b_mtem(1,ja,je) = -1.05891
b_mtem(2,ja,je) = 2.84831
b_mtem(3,ja,je) = -21.1827
b_mtem(4,ja,je) = 57.5175
b_mtem(5,ja,je) = -64.8120
b_mtem(6,ja,je) = 26.1986
! in (nh4)3h(so4)2
je = jlvcite
b_mtem(1,ja,je) = -1.16584
b_mtem(2,ja,je) = 8.50075
b_mtem(3,ja,je) = -44.3420
b_mtem(4,ja,je) = 97.3974
b_mtem(5,ja,je) = -98.4549
b_mtem(6,ja,je) = 37.6104
! in nahso4
je = jnahso4
b_mtem(1,ja,je) = -1.95805
b_mtem(2,ja,je) = 6.62417
b_mtem(3,ja,je) = -31.8072
b_mtem(4,ja,je) = 77.8603
b_mtem(5,ja,je) = -84.6458
b_mtem(6,ja,je) = 33.4963
! in na3h(so4)2
je = jna3hso4
b_mtem(1,ja,je) = -0.36045
b_mtem(2,ja,je) = 3.55223
b_mtem(3,ja,je) = -24.0327
b_mtem(4,ja,je) = 54.4879
b_mtem(5,ja,je) = -56.6531
b_mtem(6,ja,je) = 22.4956
!----------
! nano3 in e
ja = jnano3
! in (nh4)2so4
je = jnh4so4
b_mtem(1,ja,je) = -2.5888
b_mtem(2,ja,je) = 17.6192
b_mtem(3,ja,je) = -63.2183
b_mtem(4,ja,je) = 115.3520
b_mtem(5,ja,je) = -104.0860
b_mtem(6,ja,je) = 36.7390
! in nh4no3
je = jnh4no3
b_mtem(1,ja,je) = -2.0669
b_mtem(2,ja,je) = 1.4792
b_mtem(3,ja,je) = 10.5261
b_mtem(4,ja,je) = -27.0987
b_mtem(5,ja,je) = 23.0591
b_mtem(6,ja,je) = -6.0938
! in nh4cl (revised on 11/15/2003)
je = jnh4cl
b_mtem(1,ja,je) = -0.8325
b_mtem(2,ja,je) = 3.9933
b_mtem(3,ja,je) = -15.3789
b_mtem(4,ja,je) = 30.4050
b_mtem(5,ja,je) = -29.4204
b_mtem(6,ja,je) = 11.0597
! in na2so4
je = jna2so4
b_mtem(1,ja,je) = -1.1233
b_mtem(2,ja,je) = 8.3998
b_mtem(3,ja,je) = -31.9002
b_mtem(4,ja,je) = 60.1450
b_mtem(5,ja,je) = -55.5503
b_mtem(6,ja,je) = 19.7757
! in nano3
je = jnano3
b_mtem(1,ja,je) = -2.5386
b_mtem(2,ja,je) = 13.9039
b_mtem(3,ja,je) = -42.8467
b_mtem(4,ja,je) = 69.7442
b_mtem(5,ja,je) = -57.8988
b_mtem(6,ja,je) = 19.4635
! in nacl
je = jnacl
b_mtem(1,ja,je) = -0.4351
b_mtem(2,ja,je) = 2.8311
b_mtem(3,ja,je) = -11.4485
b_mtem(4,ja,je) = 22.7201
b_mtem(5,ja,je) = -22.4228
b_mtem(6,ja,je) = 8.5792
! in ca(no3)2
je = jcano3
b_mtem(1,ja,je) = -0.72060
b_mtem(2,ja,je) = 5.64915
b_mtem(3,ja,je) = -23.5020
b_mtem(4,ja,je) = 46.0078
b_mtem(5,ja,je) = -43.8075
b_mtem(6,ja,je) = 16.1652
! in cacl2
je = jcacl2
b_mtem(1,ja,je) = 0.003928
b_mtem(2,ja,je) = 3.54724
b_mtem(3,ja,je) = -18.6057
b_mtem(4,ja,je) = 38.1445
b_mtem(5,ja,je) = -36.7745
b_mtem(6,ja,je) = 13.4529
! in hno3
je = jhno3
b_mtem(1,ja,je) = -1.1712
b_mtem(2,ja,je) = 7.20907
b_mtem(3,ja,je) = -22.9215
b_mtem(4,ja,je) = 38.1257
b_mtem(5,ja,je) = -32.0759
b_mtem(6,ja,je) = 10.6443
! in hcl
je = jhcl
b_mtem(1,ja,je) = 0.738022
b_mtem(2,ja,je) = -1.14313
b_mtem(3,ja,je) = 0.32251
b_mtem(4,ja,je) = 0.838679
b_mtem(5,ja,je) = -1.81747
b_mtem(6,ja,je) = 0.873986
!----------
! nacl in e
ja = jnacl
! in (nh4)2so4
je = jnh4so4
b_mtem(1,ja,je) = -1.9525
b_mtem(2,ja,je) = 16.6433
b_mtem(3,ja,je) = -61.7090
b_mtem(4,ja,je) = 112.9910
b_mtem(5,ja,je) = -101.9370
b_mtem(6,ja,je) = 35.7760
! in nh4no3
je = jnh4no3
b_mtem(1,ja,je) = -1.7525
b_mtem(2,ja,je) = 3.0713
b_mtem(3,ja,je) = 4.8063
b_mtem(4,ja,je) = -17.5334
b_mtem(5,ja,je) = 14.2872
b_mtem(6,ja,je) = -3.0690
! in nh4cl (revised on 11/15/2003)
je = jnh4cl
b_mtem(1,ja,je) = -0.4021
b_mtem(2,ja,je) = 5.2399
b_mtem(3,ja,je) = -19.4278
b_mtem(4,ja,je) = 33.0027
b_mtem(5,ja,je) = -28.1020
b_mtem(6,ja,je) = 9.5159
! in na2so4
je = jna2so4
b_mtem(1,ja,je) = 0.6692
b_mtem(2,ja,je) = 4.1207
b_mtem(3,ja,je) = -27.3314
b_mtem(4,ja,je) = 59.3112
b_mtem(5,ja,je) = -58.7998
b_mtem(6,ja,je) = 21.7674
! in nano3
je = jnano3
b_mtem(1,ja,je) = -1.17444
b_mtem(2,ja,je) = 10.9927
b_mtem(3,ja,je) = -38.9013
b_mtem(4,ja,je) = 66.8521
b_mtem(5,ja,je) = -57.6564
b_mtem(6,ja,je) = 19.7296
! in nacl
je = jnacl
b_mtem(1,ja,je) = 1.17679
b_mtem(2,ja,je) = -2.5061
b_mtem(3,ja,je) = 0.8508
b_mtem(4,ja,je) = 4.4802
b_mtem(5,ja,je) = -8.4945
b_mtem(6,ja,je) = 4.3182
! in ca(no3)2
je = jcano3
b_mtem(1,ja,je) = 1.01450
b_mtem(2,ja,je) = 2.10260
b_mtem(3,ja,je) = -20.9036
b_mtem(4,ja,je) = 49.1481
b_mtem(5,ja,je) = -51.4867
b_mtem(6,ja,je) = 19.9301
! in cacl2 (psc92: revised on 11/27/2003)
je = jcacl2
b_mtem(1,ja,je) = 1.55463
b_mtem(2,ja,je) = -3.20122
b_mtem(3,ja,je) = -0.957075
b_mtem(4,ja,je) = 12.103
b_mtem(5,ja,je) = -17.221
b_mtem(6,ja,je) = 7.50264
! in hno3
je = jhno3
b_mtem(1,ja,je) = 2.46187
b_mtem(2,ja,je) = -12.6845
b_mtem(3,ja,je) = 34.2383
b_mtem(4,ja,je) = -51.9992
b_mtem(5,ja,je) = 39.4934
b_mtem(6,ja,je) = -11.7247
! in hcl
je = jhcl
b_mtem(1,ja,je) = 1.74915
b_mtem(2,ja,je) = -4.65768
b_mtem(3,ja,je) = 8.80287
b_mtem(4,ja,je) = -12.2503
b_mtem(5,ja,je) = 8.668751
b_mtem(6,ja,je) = -2.50158
!----------
! ca(no3)2 in e
ja = jcano3
! in nh4no3
je = jnh4no3
b_mtem(1,ja,je) = -1.86260
b_mtem(2,ja,je) = 11.6178
b_mtem(3,ja,je) = -30.9069
b_mtem(4,ja,je) = 41.7578
b_mtem(5,ja,je) = -33.7338
b_mtem(6,ja,je) = 12.7541
! in nh4cl (revised on 11/15/2003)
je = jnh4cl
b_mtem(1,ja,je) = -1.1798
b_mtem(2,ja,je) = 25.9608
b_mtem(3,ja,je) = -98.9373
b_mtem(4,ja,je) = 160.2300
b_mtem(5,ja,je) = -125.9540
b_mtem(6,ja,je) = 39.5130
! in nano3
je = jnano3
b_mtem(1,ja,je) = -1.44384
b_mtem(2,ja,je) = 13.6044
b_mtem(3,ja,je) = -54.4300
b_mtem(4,ja,je) = 100.582
b_mtem(5,ja,je) = -91.2364
b_mtem(6,ja,je) = 32.5970
! in nacl
je = jnacl
b_mtem(1,ja,je) = -0.099114
b_mtem(2,ja,je) = 2.84091
b_mtem(3,ja,je) = -16.9229
b_mtem(4,ja,je) = 37.4839
b_mtem(5,ja,je) = -39.5132
b_mtem(6,ja,je) = 15.8564
! in ca(no3)2
je = jcano3
b_mtem(1,ja,je) = 0.055116
b_mtem(2,ja,je) = 4.58610
b_mtem(3,ja,je) = -27.6629
b_mtem(4,ja,je) = 60.8288
b_mtem(5,ja,je) = -61.4988
b_mtem(6,ja,je) = 23.3136
! in cacl2 (psc92: revised on 11/27/2003)
je = jcacl2
b_mtem(1,ja,je) = 1.57155
b_mtem(2,ja,je) = -3.18486
b_mtem(3,ja,je) = -3.35758
b_mtem(4,ja,je) = 18.7501
b_mtem(5,ja,je) = -24.5604
b_mtem(6,ja,je) = 10.3798
! in hno3
je = jhno3
b_mtem(1,ja,je) = 1.04446
b_mtem(2,ja,je) = -3.19066
b_mtem(3,ja,je) = 2.44714
b_mtem(4,ja,je) = 2.07218
b_mtem(5,ja,je) = -6.43949
b_mtem(6,ja,je) = 3.66471
! in hcl
je = jhcl
b_mtem(1,ja,je) = 1.05723
b_mtem(2,ja,je) = -1.46826
b_mtem(3,ja,je) = -1.0713
b_mtem(4,ja,je) = 4.64439
b_mtem(5,ja,je) = -6.32402
b_mtem(6,ja,je) = 2.78202
!----------
! cacl2 in e
ja = jcacl2
! in nh4no3 (psc92: revised on 12/22/2003)
je = jnh4no3
b_mtem(1,ja,je) = -1.43626
b_mtem(2,ja,je) = 13.6598
b_mtem(3,ja,je) = -38.2068
b_mtem(4,ja,je) = 53.9057
b_mtem(5,ja,je) = -44.9018
b_mtem(6,ja,je) = 16.6120
! in nh4cl (psc92: revised on 11/27/2003)
je = jnh4cl
b_mtem(1,ja,je) = -0.603965
b_mtem(2,ja,je) = 27.6027
b_mtem(3,ja,je) = -104.258
b_mtem(4,ja,je) = 163.553
b_mtem(5,ja,je) = -124.076
b_mtem(6,ja,je) = 37.4153
! in nano3 (psc92: revised on 12/22/2003)
je = jnano3
b_mtem(1,ja,je) = 0.44648
b_mtem(2,ja,je) = 8.8850
b_mtem(3,ja,je) = -45.5232
b_mtem(4,ja,je) = 89.3263
b_mtem(5,ja,je) = -83.8604
b_mtem(6,ja,je) = 30.4069
! in nacl (psc92: revised on 11/27/2003)
je = jnacl
b_mtem(1,ja,je) = 1.61927
b_mtem(2,ja,je) = 0.247547
b_mtem(3,ja,je) = -18.1252
b_mtem(4,ja,je) = 45.2479
b_mtem(5,ja,je) = -48.6072
b_mtem(6,ja,je) = 19.2784
! in ca(no3)2 (psc92: revised on 11/27/2003)
je = jcano3
b_mtem(1,ja,je) = 2.36667
b_mtem(2,ja,je) = -0.123309
b_mtem(3,ja,je) = -24.2723
b_mtem(4,ja,je) = 65.1486
b_mtem(5,ja,je) = -71.8504
b_mtem(6,ja,je) = 28.3696
! in cacl2 (psc92: revised on 11/27/2003)
je = jcacl2
b_mtem(1,ja,je) = 3.64023
b_mtem(2,ja,je) = -12.1926
b_mtem(3,ja,je) = 20.2028
b_mtem(4,ja,je) = -16.0056
b_mtem(5,ja,je) = 1.52355
b_mtem(6,ja,je) = 2.44709
! in hno3
je = jhno3
b_mtem(1,ja,je) = 5.88794
b_mtem(2,ja,je) = -29.7083
b_mtem(3,ja,je) = 78.6309
b_mtem(4,ja,je) = -118.037
b_mtem(5,ja,je) = 88.932
b_mtem(6,ja,je) = -26.1407
! in hcl
je = jhcl
b_mtem(1,ja,je) = 2.40628
b_mtem(2,ja,je) = -6.16566
b_mtem(3,ja,je) = 10.2851
b_mtem(4,ja,je) = -12.9035
b_mtem(5,ja,je) = 7.7441
b_mtem(6,ja,je) = -1.74821
!----------
! hno3 in e
ja = jhno3
! in (nh4)2so4
je = jnh4so4
b_mtem(1,ja,je) = -3.57598
b_mtem(2,ja,je) = 21.5469
b_mtem(3,ja,je) = -77.4111
b_mtem(4,ja,je) = 144.136
b_mtem(5,ja,je) = -132.849
b_mtem(6,ja,je) = 47.9412
! in nh4no3
je = jnh4no3
b_mtem(1,ja,je) = -2.00209
b_mtem(2,ja,je) = -3.48399
b_mtem(3,ja,je) = 34.9906
b_mtem(4,ja,je) = -68.6653
b_mtem(5,ja,je) = 54.0992
b_mtem(6,ja,je) = -15.1343
! in nh4cl revised on 12/22/2003
je = jnh4cl
b_mtem(1,ja,je) = -0.63790
b_mtem(2,ja,je) = -1.67730
b_mtem(3,ja,je) = 10.1727
b_mtem(4,ja,je) = -14.9097
b_mtem(5,ja,je) = 7.67410
b_mtem(6,ja,je) = -0.79586
! in nacl
je = jnacl
b_mtem(1,ja,je) = 1.3446
b_mtem(2,ja,je) = -2.5578
b_mtem(3,ja,je) = 1.3464
b_mtem(4,ja,je) = 2.90537
b_mtem(5,ja,je) = -6.53014
b_mtem(6,ja,je) = 3.31339
! in nano3
je = jnano3
b_mtem(1,ja,je) = -0.546636
b_mtem(2,ja,je) = 10.3127
b_mtem(3,ja,je) = -39.9603
b_mtem(4,ja,je) = 71.4609
b_mtem(5,ja,je) = -63.4958
b_mtem(6,ja,je) = 22.0679
! in na2so4
je = jna2so4
b_mtem(1,ja,je) = 1.35059
b_mtem(2,ja,je) = 4.34557
b_mtem(3,ja,je) = -35.8425
b_mtem(4,ja,je) = 80.9868
b_mtem(5,ja,je) = -81.6544
b_mtem(6,ja,je) = 30.4841
! in ca(no3)2
je = jcano3
b_mtem(1,ja,je) = 0.869414
b_mtem(2,ja,je) = 2.98486
b_mtem(3,ja,je) = -22.255
b_mtem(4,ja,je) = 50.1863
b_mtem(5,ja,je) = -51.214
b_mtem(6,ja,je) = 19.2235
! in cacl2 (km) revised on 12/22/2003
je = jcacl2
b_mtem(1,ja,je) = 1.42800
b_mtem(2,ja,je) = -1.78959
b_mtem(3,ja,je) = -2.49075
b_mtem(4,ja,je) = 10.1877
b_mtem(5,ja,je) = -12.1948
b_mtem(6,ja,je) = 4.64475
! in hno3 (added on 12/06/2004)
je = jhno3
b_mtem(1,ja,je) = 0.22035
b_mtem(2,ja,je) = 2.94973
b_mtem(3,ja,je) = -12.1469
b_mtem(4,ja,je) = 20.4905
b_mtem(5,ja,je) = -17.3966
b_mtem(6,ja,je) = 5.70779
! in hcl (added on 12/06/2004)
je = jhcl
b_mtem(1,ja,je) = 1.55503
b_mtem(2,ja,je) = -3.61226
b_mtem(3,ja,je) = 6.28265
b_mtem(4,ja,je) = -8.69575
b_mtem(5,ja,je) = 6.09372
b_mtem(6,ja,je) = -1.80898
! in h2so4
je = jh2so4
b_mtem(1,ja,je) = 1.10783
b_mtem(2,ja,je) = -1.3363
b_mtem(3,ja,je) = -1.83525
b_mtem(4,ja,je) = 7.47373
b_mtem(5,ja,je) = -9.72954
b_mtem(6,ja,je) = 4.12248
! in nh4hso4
je = jnh4hso4
b_mtem(1,ja,je) = -0.851026
b_mtem(2,ja,je) = 12.2515
b_mtem(3,ja,je) = -49.788
b_mtem(4,ja,je) = 91.6215
b_mtem(5,ja,je) = -81.4877
b_mtem(6,ja,je) = 28.0002
! in (nh4)3h(so4)2
je = jlvcite
b_mtem(1,ja,je) = -3.09464
b_mtem(2,ja,je) = 14.9303
b_mtem(3,ja,je) = -43.0454
b_mtem(4,ja,je) = 72.6695
b_mtem(5,ja,je) = -65.2140
b_mtem(6,ja,je) = 23.4814
! in nahso4
je = jnahso4
b_mtem(1,ja,je) = 1.22973
b_mtem(2,ja,je) = 2.82702
b_mtem(3,ja,je) = -17.5869
b_mtem(4,ja,je) = 28.9564
b_mtem(5,ja,je) = -23.5814
b_mtem(6,ja,je) = 7.91153
! in na3h(so4)2
je = jna3hso4
b_mtem(1,ja,je) = 1.64773
b_mtem(2,ja,je) = 0.94188
b_mtem(3,ja,je) = -19.1242
b_mtem(4,ja,je) = 46.9887
b_mtem(5,ja,je) = -50.9494
b_mtem(6,ja,je) = 20.2169
!----------
! hcl in e
ja = jhcl
! in (nh4)2so4
je = jnh4so4
b_mtem(1,ja,je) = -2.93783
b_mtem(2,ja,je) = 20.5546
b_mtem(3,ja,je) = -75.8548
b_mtem(4,ja,je) = 141.729
b_mtem(5,ja,je) = -130.697
b_mtem(6,ja,je) = 46.9905
! in nh4no3
je = jnh4no3
b_mtem(1,ja,je) = -1.69063
b_mtem(2,ja,je) = -1.85303
b_mtem(3,ja,je) = 29.0927
b_mtem(4,ja,je) = -58.7401
b_mtem(5,ja,je) = 44.999
b_mtem(6,ja,je) = -11.9988
! in nh4cl (revised on 11/15/2003)
je = jnh4cl
b_mtem(1,ja,je) = -0.2073
b_mtem(2,ja,je) = -0.4322
b_mtem(3,ja,je) = 6.1271
b_mtem(4,ja,je) = -12.3146
b_mtem(5,ja,je) = 8.9919
b_mtem(6,ja,je) = -2.3388
! in nacl
je = jnacl
b_mtem(1,ja,je) = 2.95913
b_mtem(2,ja,je) = -7.92254
b_mtem(3,ja,je) = 13.736
b_mtem(4,ja,je) = -15.433
b_mtem(5,ja,je) = 7.40386
b_mtem(6,ja,je) = -0.918641
! in nano3
je = jnano3
b_mtem(1,ja,je) = 0.893272
b_mtem(2,ja,je) = 6.53768
b_mtem(3,ja,je) = -32.3458
b_mtem(4,ja,je) = 61.2834
b_mtem(5,ja,je) = -56.4446
b_mtem(6,ja,je) = 19.9202
! in na2so4
je = jna2so4
b_mtem(1,ja,je) = 3.14484
b_mtem(2,ja,je) = 0.077019
b_mtem(3,ja,je) = -31.4199
b_mtem(4,ja,je) = 80.5865
b_mtem(5,ja,je) = -85.392
b_mtem(6,ja,je) = 32.6644
! in ca(no3)2
je = jcano3
b_mtem(1,ja,je) = 2.60432
b_mtem(2,ja,je) = -0.55909
b_mtem(3,ja,je) = -19.6671
b_mtem(4,ja,je) = 53.3446
b_mtem(5,ja,je) = -58.9076
b_mtem(6,ja,je) = 22.9927
! in cacl2 (km) revised on 3/13/2003 and again on 11/27/2003
je = jcacl2
b_mtem(1,ja,je) = 2.98036
b_mtem(2,ja,je) = -8.55365
b_mtem(3,ja,je) = 15.2108
b_mtem(4,ja,je) = -15.9359
b_mtem(5,ja,je) = 7.41772
b_mtem(6,ja,je) = -1.32143
! in hno3 (added on 12/06/2004)
je = jhno3
b_mtem(1,ja,je) = 3.8533
b_mtem(2,ja,je) = -16.9427
b_mtem(3,ja,je) = 45.0056
b_mtem(4,ja,je) = -69.6145
b_mtem(5,ja,je) = 54.1491
b_mtem(6,ja,je) = -16.6513
! in hcl (added on 12/06/2004)
je = jhcl
b_mtem(1,ja,je) = 2.56665
b_mtem(2,ja,je) = -7.13585
b_mtem(3,ja,je) = 14.8103
b_mtem(4,ja,je) = -21.8881
b_mtem(5,ja,je) = 16.6808
b_mtem(6,ja,je) = -5.22091
! in h2so4
je = jh2so4
b_mtem(1,ja,je) = 2.50179
b_mtem(2,ja,je) = -6.69364
b_mtem(3,ja,je) = 11.6551
b_mtem(4,ja,je) = -13.6897
b_mtem(5,ja,je) = 7.36796
b_mtem(6,ja,je) = -1.33245
! in nh4hso4
je = jnh4hso4
b_mtem(1,ja,je) = 0.149955
b_mtem(2,ja,je) = 11.8213
b_mtem(3,ja,je) = -53.9164
b_mtem(4,ja,je) = 101.574
b_mtem(5,ja,je) = -91.4123
b_mtem(6,ja,je) = 31.5487
! in (nh4)3h(so4)2
je = jlvcite
b_mtem(1,ja,je) = -2.36927
b_mtem(2,ja,je) = 14.8359
b_mtem(3,ja,je) = -44.3443
b_mtem(4,ja,je) = 73.6229
b_mtem(5,ja,je) = -65.3366
b_mtem(6,ja,je) = 23.3250
! in nahso4
je = jnahso4
b_mtem(1,ja,je) = 2.72993
b_mtem(2,ja,je) = -0.23406
b_mtem(3,ja,je) = -10.4103
b_mtem(4,ja,je) = 13.1586
b_mtem(5,ja,je) = -7.79925
b_mtem(6,ja,je) = 2.30843
! in na3h(so4)2
je = jna3hso4
b_mtem(1,ja,je) = 3.51258
b_mtem(2,ja,je) = -3.95107
b_mtem(3,ja,je) = -11.0175
b_mtem(4,ja,je) = 38.8617
b_mtem(5,ja,je) = -48.1575
b_mtem(6,ja,je) = 20.4717
!----------
! 2h.so4 in e
ja = jh2so4
! in h2so4
je = jh2so4
b_mtem(1,ja,je) = 0.76734
b_mtem(2,ja,je) = -1.12263
b_mtem(3,ja,je) = -9.08728
b_mtem(4,ja,je) = 30.3836
b_mtem(5,ja,je) = -38.4133
b_mtem(6,ja,je) = 17.0106
! in nh4hso4
je = jnh4hso4
b_mtem(1,ja,je) = -2.03879
b_mtem(2,ja,je) = 15.7033
b_mtem(3,ja,je) = -58.7363
b_mtem(4,ja,je) = 109.242
b_mtem(5,ja,je) = -102.237
b_mtem(6,ja,je) = 37.5350
! in (nh4)3h(so4)2
je = jlvcite
b_mtem(1,ja,je) = -3.10228
b_mtem(2,ja,je) = 16.6920
b_mtem(3,ja,je) = -59.1522
b_mtem(4,ja,je) = 113.487
b_mtem(5,ja,je) = -110.890
b_mtem(6,ja,je) = 42.4578
! in (nh4)2so4
je = jnh4so4
b_mtem(1,ja,je) = -3.43885
b_mtem(2,ja,je) = 21.0372
b_mtem(3,ja,je) = -84.7026
b_mtem(4,ja,je) = 165.324
b_mtem(5,ja,je) = -156.101
b_mtem(6,ja,je) = 57.3101
! in nahso4
je = jnahso4
b_mtem(1,ja,je) = 0.33164
b_mtem(2,ja,je) = 6.55864
b_mtem(3,ja,je) = -33.5876
b_mtem(4,ja,je) = 65.1798
b_mtem(5,ja,je) = -63.2046
b_mtem(6,ja,je) = 24.1783
! in na3h(so4)2
je = jna3hso4
b_mtem(1,ja,je) = 3.06830
b_mtem(2,ja,je) = -3.18408
b_mtem(3,ja,je) = -19.6332
b_mtem(4,ja,je) = 61.3657
b_mtem(5,ja,je) = -73.4438
b_mtem(6,ja,je) = 31.2334
! in na2so4
je = jna2so4
b_mtem(1,ja,je) = 2.58649
b_mtem(2,ja,je) = 0.87921
b_mtem(3,ja,je) = -39.3023
b_mtem(4,ja,je) = 101.603
b_mtem(5,ja,je) = -109.469
b_mtem(6,ja,je) = 43.0188
! in hno3
je = jhno3
b_mtem(1,ja,je) = 1.54587
b_mtem(2,ja,je) = -7.50976
b_mtem(3,ja,je) = 12.8237
b_mtem(4,ja,je) = -10.1452
b_mtem(5,ja,je) = -0.541956
b_mtem(6,ja,je) = 3.34536
! in hcl
je = jhcl
b_mtem(1,ja,je) = 0.829757
b_mtem(2,ja,je) = -4.11316
b_mtem(3,ja,je) = 3.67111
b_mtem(4,ja,je) = 3.6833
b_mtem(5,ja,je) = -11.2711
b_mtem(6,ja,je) = 6.71421
!----------
! h.hso4 in e
ja = jhhso4
! in h2so4
je = jh2so4
b_mtem(1,ja,je) = 2.63953
b_mtem(2,ja,je) = -6.01532
b_mtem(3,ja,je) = 10.0204
b_mtem(4,ja,je) = -12.4840
b_mtem(5,ja,je) = 7.78853
b_mtem(6,ja,je) = -2.12638
! in nh4hso4
je = jnh4hso4
b_mtem(1,ja,je) = -0.77412
b_mtem(2,ja,je) = 14.1656
b_mtem(3,ja,je) = -53.4087
b_mtem(4,ja,je) = 93.2013
b_mtem(5,ja,je) = -80.5723
b_mtem(6,ja,je) = 27.1577
! in (nh4)3h(so4)2
je = jlvcite
b_mtem(1,ja,je) = -2.98882
b_mtem(2,ja,je) = 14.4436
b_mtem(3,ja,je) = -40.1774
b_mtem(4,ja,je) = 67.5937
b_mtem(5,ja,je) = -61.5040
b_mtem(6,ja,je) = 22.3695
! in (nh4)2so4
je = jnh4so4
b_mtem(1,ja,je) = -1.15502
b_mtem(2,ja,je) = 8.12309
b_mtem(3,ja,je) = -38.4726
b_mtem(4,ja,je) = 80.8861
b_mtem(5,ja,je) = -80.1644
b_mtem(6,ja,je) = 30.4717
! in nahso4
je = jnahso4
b_mtem(1,ja,je) = 1.99641
b_mtem(2,ja,je) = -2.96061
b_mtem(3,ja,je) = 5.54778
b_mtem(4,ja,je) = -14.5488
b_mtem(5,ja,je) = 14.8492
b_mtem(6,ja,je) = -5.1389
! in na3h(so4)2
je = jna3hso4
b_mtem(1,ja,je) = 2.23816
b_mtem(2,ja,je) = -3.20847
b_mtem(3,ja,je) = -4.82853
b_mtem(4,ja,je) = 20.9192
b_mtem(5,ja,je) = -27.2819
b_mtem(6,ja,je) = 11.8655
! in na2so4
je = jna2so4
b_mtem(1,ja,je) = 2.56907
b_mtem(2,ja,je) = 1.13444
b_mtem(3,ja,je) = -34.6853
b_mtem(4,ja,je) = 87.9775
b_mtem(5,ja,je) = -93.2330
b_mtem(6,ja,je) = 35.9260
! in hno3
je = jhno3
b_mtem(1,ja,je) = 2.00024
b_mtem(2,ja,je) = -4.80868
b_mtem(3,ja,je) = 8.29222
b_mtem(4,ja,je) = -11.0849
b_mtem(5,ja,je) = 7.51262
b_mtem(6,ja,je) = -2.07654
! in hcl
je = jhcl
b_mtem(1,ja,je) = 2.8009
b_mtem(2,ja,je) = -6.98416
b_mtem(3,ja,je) = 14.3146
b_mtem(4,ja,je) = -22.0068
b_mtem(5,ja,je) = 17.5557
b_mtem(6,ja,je) = -5.84917
!----------
! nh4hso4 in e
ja = jnh4hso4
! in h2so4
je = jh2so4
b_mtem(1,ja,je) = 0.169160
b_mtem(2,ja,je) = 2.15094
b_mtem(3,ja,je) = -9.62904
b_mtem(4,ja,je) = 18.2631
b_mtem(5,ja,je) = -17.3333
b_mtem(6,ja,je) = 6.19835
! in nh4hso4
je = jnh4hso4
b_mtem(1,ja,je) = -2.34457
b_mtem(2,ja,je) = 12.8035
b_mtem(3,ja,je) = -35.2513
b_mtem(4,ja,je) = 53.6153
b_mtem(5,ja,je) = -42.7655
b_mtem(6,ja,je) = 13.7129
! in (nh4)3h(so4)2
je = jlvcite
b_mtem(1,ja,je) = -2.56109
b_mtem(2,ja,je) = 11.1414
b_mtem(3,ja,je) = -30.2361
b_mtem(4,ja,je) = 50.0320
b_mtem(5,ja,je) = -44.1586
b_mtem(6,ja,je) = 15.5393
! in (nh4)2so4
je = jnh4so4
b_mtem(1,ja,je) = -0.97315
b_mtem(2,ja,je) = 7.06295
b_mtem(3,ja,je) = -29.3032
b_mtem(4,ja,je) = 57.6101
b_mtem(5,ja,je) = -54.9020
b_mtem(6,ja,je) = 20.2222
! in nahso4
je = jnahso4
b_mtem(1,ja,je) = -0.44450
b_mtem(2,ja,je) = 3.33451
b_mtem(3,ja,je) = -15.2791
b_mtem(4,ja,je) = 30.1413
b_mtem(5,ja,je) = -26.7710
b_mtem(6,ja,je) = 8.78462
! in na3h(so4)2
je = jna3hso4
b_mtem(1,ja,je) = -0.99780
b_mtem(2,ja,je) = 4.69200
b_mtem(3,ja,je) = -16.1219
b_mtem(4,ja,je) = 29.3100
b_mtem(5,ja,je) = -26.3383
b_mtem(6,ja,je) = 9.20695
! in na2so4
je = jna2so4
b_mtem(1,ja,je) = -0.52694
b_mtem(2,ja,je) = 7.02684
b_mtem(3,ja,je) = -33.7508
b_mtem(4,ja,je) = 70.0565
b_mtem(5,ja,je) = -68.3226
b_mtem(6,ja,je) = 25.2692
! in hno3
je = jhno3
b_mtem(1,ja,je) = 0.572926
b_mtem(2,ja,je) = -2.04791
b_mtem(3,ja,je) = 2.1134
b_mtem(4,ja,je) = 0.246654
b_mtem(5,ja,je) = -3.06019
b_mtem(6,ja,je) = 1.98126
! in hcl
je = jhcl
b_mtem(1,ja,je) = 0.56514
b_mtem(2,ja,je) = 0.22287
b_mtem(3,ja,je) = -2.76973
b_mtem(4,ja,je) = 4.54444
b_mtem(5,ja,je) = -3.86549
b_mtem(6,ja,je) = 1.13441
!----------
! (nh4)3h(so4)2 in e
ja = jlvcite
! in h2so4
je = jh2so4
b_mtem(1,ja,je) = -1.44811
b_mtem(2,ja,je) = 6.71815
b_mtem(3,ja,je) = -25.0141
b_mtem(4,ja,je) = 50.1109
b_mtem(5,ja,je) = -50.0561
b_mtem(6,ja,je) = 19.3370
! in nh4hso4
je = jnh4hso4
b_mtem(1,ja,je) = -3.41707
b_mtem(2,ja,je) = 13.4496
b_mtem(3,ja,je) = -34.8018
b_mtem(4,ja,je) = 55.2987
b_mtem(5,ja,je) = -48.1839
b_mtem(6,ja,je) = 17.2444
! in (nh4)3h(so4)2
je = jlvcite
b_mtem(1,ja,je) = -2.54479
b_mtem(2,ja,je) = 11.8501
b_mtem(3,ja,je) = -39.7286
b_mtem(4,ja,je) = 74.2479
b_mtem(5,ja,je) = -70.4934
b_mtem(6,ja,je) = 26.2836
! in (nh4)2so4
je = jnh4so4
b_mtem(1,ja,je) = -2.30561
b_mtem(2,ja,je) = 14.5806
b_mtem(3,ja,je) = -55.1238
b_mtem(4,ja,je) = 103.451
b_mtem(5,ja,je) = -95.2571
b_mtem(6,ja,je) = 34.2218
! in nahso4
je = jnahso4
b_mtem(1,ja,je) = -2.20809
b_mtem(2,ja,je) = 13.6391
b_mtem(3,ja,je) = -57.8246
b_mtem(4,ja,je) = 117.907
b_mtem(5,ja,je) = -112.154
b_mtem(6,ja,je) = 40.3058
! in na3h(so4)2
je = jna3hso4
b_mtem(1,ja,je) = -1.15099
b_mtem(2,ja,je) = 6.32269
b_mtem(3,ja,je) = -27.3860
b_mtem(4,ja,je) = 55.4592
b_mtem(5,ja,je) = -54.0100
b_mtem(6,ja,je) = 20.3469
! in na2so4
je = jna2so4
b_mtem(1,ja,je) = -1.15678
b_mtem(2,ja,je) = 8.28718
b_mtem(3,ja,je) = -37.3231
b_mtem(4,ja,je) = 76.6124
b_mtem(5,ja,je) = -74.9307
b_mtem(6,ja,je) = 28.0559
! in hno3
je = jhno3
b_mtem(1,ja,je) = 0.01502
b_mtem(2,ja,je) = -3.1197
b_mtem(3,ja,je) = 3.61104
b_mtem(4,ja,je) = 3.05196
b_mtem(5,ja,je) = -9.98957
b_mtem(6,ja,je) = 6.04155
! in hcl
je = jhcl
b_mtem(1,ja,je) = -1.06477
b_mtem(2,ja,je) = 3.38801
b_mtem(3,ja,je) = -12.5784
b_mtem(4,ja,je) = 25.2823
b_mtem(5,ja,je) = -25.4611
b_mtem(6,ja,je) = 10.0754
!----------
! nahso4 in e
ja = jnahso4
! in h2so4
je = jh2so4
b_mtem(1,ja,je) = 0.68259
b_mtem(2,ja,je) = 0.71468
b_mtem(3,ja,je) = -5.59003
b_mtem(4,ja,je) = 11.0089
b_mtem(5,ja,je) = -10.7983
b_mtem(6,ja,je) = 3.82335
! in nh4hso4
je = jnh4hso4
b_mtem(1,ja,je) = -0.03956
b_mtem(2,ja,je) = 4.52828
b_mtem(3,ja,je) = -25.2557
b_mtem(4,ja,je) = 54.4225
b_mtem(5,ja,je) = -52.5105
b_mtem(6,ja,je) = 18.6562
! in (nh4)3h(so4)2
je = jlvcite
b_mtem(1,ja,je) = -1.53503
b_mtem(2,ja,je) = 8.27608
b_mtem(3,ja,je) = -28.9539
b_mtem(4,ja,je) = 55.2876
b_mtem(5,ja,je) = -51.9563
b_mtem(6,ja,je) = 18.6576
! in (nh4)2so4
je = jnh4so4
b_mtem(1,ja,je) = -0.38793
b_mtem(2,ja,je) = 7.14680
b_mtem(3,ja,je) = -38.7201
b_mtem(4,ja,je) = 84.3965
b_mtem(5,ja,je) = -84.7453
b_mtem(6,ja,je) = 32.1283
! in nahso4
je = jnahso4
b_mtem(1,ja,je) = -0.41982
b_mtem(2,ja,je) = 4.26491
b_mtem(3,ja,je) = -20.2351
b_mtem(4,ja,je) = 42.6764
b_mtem(5,ja,je) = -40.7503
b_mtem(6,ja,je) = 14.2868
! in na3h(so4)2
je = jna3hso4
b_mtem(1,ja,je) = -0.32912
b_mtem(2,ja,je) = 1.80808
b_mtem(3,ja,je) = -8.01286
b_mtem(4,ja,je) = 15.5791
b_mtem(5,ja,je) = -14.5494
b_mtem(6,ja,je) = 5.27052
! in na2so4
je = jna2so4
b_mtem(1,ja,je) = 0.10271
b_mtem(2,ja,je) = 5.09559
b_mtem(3,ja,je) = -30.3295
b_mtem(4,ja,je) = 66.2975
b_mtem(5,ja,je) = -66.3458
b_mtem(6,ja,je) = 24.9443
! in hno3
je = jhno3
b_mtem(1,ja,je) = 0.608309
b_mtem(2,ja,je) = -0.541905
b_mtem(3,ja,je) = -2.52084
b_mtem(4,ja,je) = 6.63297
b_mtem(5,ja,je) = -7.24599
b_mtem(6,ja,je) = 2.88811
! in hcl
je = jhcl
b_mtem(1,ja,je) = 1.98399
b_mtem(2,ja,je) = -4.51562
b_mtem(3,ja,je) = 8.36059
b_mtem(4,ja,je) = -12.4948
b_mtem(5,ja,je) = 9.67514
b_mtem(6,ja,je) = -3.18004
!----------
! na3h(so4)2 in e
ja = jna3hso4
! in h2so4
je = jh2so4
b_mtem(1,ja,je) = -0.83214
b_mtem(2,ja,je) = 4.99572
b_mtem(3,ja,je) = -20.1697
b_mtem(4,ja,je) = 41.4066
b_mtem(5,ja,je) = -42.2119
b_mtem(6,ja,je) = 16.4855
! in nh4hso4
je = jnh4hso4
b_mtem(1,ja,je) = -0.65139
b_mtem(2,ja,je) = 3.52300
b_mtem(3,ja,je) = -22.8220
b_mtem(4,ja,je) = 56.2956
b_mtem(5,ja,je) = -59.9028
b_mtem(6,ja,je) = 23.1844
! in (nh4)3h(so4)2
je = jlvcite
b_mtem(1,ja,je) = -1.31331
b_mtem(2,ja,je) = 8.40835
b_mtem(3,ja,je) = -38.1757
b_mtem(4,ja,je) = 80.5312
b_mtem(5,ja,je) = -79.8346
b_mtem(6,ja,je) = 30.0219
! in (nh4)2so4
je = jnh4so4
b_mtem(1,ja,je) = -1.03054
b_mtem(2,ja,je) = 8.08155
b_mtem(3,ja,je) = -38.1046
b_mtem(4,ja,je) = 78.7168
b_mtem(5,ja,je) = -77.2263
b_mtem(6,ja,je) = 29.1521
! in nahso4
je = jnahso4
b_mtem(1,ja,je) = -1.90695
b_mtem(2,ja,je) = 11.6241
b_mtem(3,ja,je) = -50.3175
b_mtem(4,ja,je) = 105.884
b_mtem(5,ja,je) = -103.258
b_mtem(6,ja,je) = 37.6588
! in na3h(so4)2
je = jna3hso4
b_mtem(1,ja,je) = -0.34780
b_mtem(2,ja,je) = 2.85363
b_mtem(3,ja,je) = -17.6224
b_mtem(4,ja,je) = 38.9220
b_mtem(5,ja,je) = -39.8106
b_mtem(6,ja,je) = 15.6055
! in na2so4
je = jna2so4
b_mtem(1,ja,je) = -0.75230
b_mtem(2,ja,je) = 10.0140
b_mtem(3,ja,je) = -50.5677
b_mtem(4,ja,je) = 106.941
b_mtem(5,ja,je) = -105.534
b_mtem(6,ja,je) = 39.5196
! in hno3
je = jhno3
b_mtem(1,ja,je) = 0.057456
b_mtem(2,ja,je) = -1.31264
b_mtem(3,ja,je) = -1.94662
b_mtem(4,ja,je) = 10.7024
b_mtem(5,ja,je) = -14.9946
b_mtem(6,ja,je) = 7.12161
! in hcl
je = jhcl
b_mtem(1,ja,je) = 0.637894
b_mtem(2,ja,je) = -2.29719
b_mtem(3,ja,je) = 0.765361
b_mtem(4,ja,je) = 4.8748
b_mtem(5,ja,je) = -9.25978
b_mtem(6,ja,je) = 4.91773
!
!
!
!----------------------------------------------------------
! coefficients for %mdrh(t) = d1 + d2*t + d3*t^2 + d4*t^3 (t in kelvin)
! valid temperature range: 240 - 320 k
!----------------------------------------------------------
!
! sulfate-poor systems
! ac
j_index = 1
d_mdrh(j_index,1) = -58.00268351
d_mdrh(j_index,2) = 2.031077573
d_mdrh(j_index,3) = -0.008281218
d_mdrh(j_index,4) = 1.00447e-05
! an
j_index = 2
d_mdrh(j_index,1) = 1039.137773
d_mdrh(j_index,2) = -11.47847095
d_mdrh(j_index,3) = 0.047702786
d_mdrh(j_index,4) = -6.77675e-05
! as
j_index = 3
d_mdrh(j_index,1) = 115.8366357
d_mdrh(j_index,2) = 0.491881663
d_mdrh(j_index,3) = -0.00422807
d_mdrh(j_index,4) = 7.29274e-06
! sc
j_index = 4
d_mdrh(j_index,1) = 253.2424151
d_mdrh(j_index,2) = -1.429957864
d_mdrh(j_index,3) = 0.003727554
d_mdrh(j_index,4) = -3.13037e-06
! sn
j_index = 5
d_mdrh(j_index,1) = -372.4306506
d_mdrh(j_index,2) = 5.3955633
d_mdrh(j_index,3) = -0.019804438
d_mdrh(j_index,4) = 2.25662e-05
! ss
j_index = 6
d_mdrh(j_index,1) = 286.1271416
d_mdrh(j_index,2) = -1.670787758
d_mdrh(j_index,3) = 0.004431373
d_mdrh(j_index,4) = -3.57757e-06
! cc
j_index = 7
d_mdrh(j_index,1) = -1124.07059
d_mdrh(j_index,2) = 14.26364209
d_mdrh(j_index,3) = -0.054816822
d_mdrh(j_index,4) = 6.70107e-05
! cn
j_index = 8
d_mdrh(j_index,1) = 1855.413934
d_mdrh(j_index,2) = -20.29219473
d_mdrh(j_index,3) = 0.07807482
d_mdrh(j_index,4) = -1.017887858e-4
! an + ac
j_index = 9
d_mdrh(j_index,1) = 1761.176886
d_mdrh(j_index,2) = -19.29811062
d_mdrh(j_index,3) = 0.075676987
d_mdrh(j_index,4) = -1.0116959e-4
! as + ac
j_index = 10
d_mdrh(j_index,1) = 122.1074303
d_mdrh(j_index,2) = 0.429692122
d_mdrh(j_index,3) = -0.003928277
d_mdrh(j_index,4) = 6.43275e-06
! as + an
j_index = 11
d_mdrh(j_index,1) = 2424.634678
d_mdrh(j_index,2) = -26.54031307
d_mdrh(j_index,3) = 0.101625387
d_mdrh(j_index,4) = -1.31544547798e-4
! as + an + ac
j_index = 12
d_mdrh(j_index,1) = 2912.082599
d_mdrh(j_index,2) = -31.8894185
d_mdrh(j_index,3) = 0.121185849
d_mdrh(j_index,4) = -1.556534623e-4
! sc + ac
j_index = 13
d_mdrh(j_index,1) = 172.2596493
d_mdrh(j_index,2) = -0.511006195
d_mdrh(j_index,3) = 4.27244597e-4
d_mdrh(j_index,4) = 4.12797e-07
! sn + ac
j_index = 14
d_mdrh(j_index,1) = 1596.184935
d_mdrh(j_index,2) = -16.37945565
d_mdrh(j_index,3) = 0.060281218
d_mdrh(j_index,4) = -7.6161e-05
! sn + an
j_index = 15
d_mdrh(j_index,1) = 1916.072988
d_mdrh(j_index,2) = -20.85594868
d_mdrh(j_index,3) = 0.081140141
d_mdrh(j_index,4) = -1.07954274796e-4
! sn + an + ac
j_index = 16
d_mdrh(j_index,1) = 1467.165935
d_mdrh(j_index,2) = -16.01166196
d_mdrh(j_index,3) = 0.063505582
d_mdrh(j_index,4) = -8.66722e-05
! sn + sc
j_index = 17
d_mdrh(j_index,1) = 158.447059
d_mdrh(j_index,2) = -0.628167358
d_mdrh(j_index,3) = 0.002014448
d_mdrh(j_index,4) = -3.13037e-06
! sn + sc + ac
j_index = 18
d_mdrh(j_index,1) = 1115.892468
d_mdrh(j_index,2) = -11.76936534
d_mdrh(j_index,3) = 0.045577399
d_mdrh(j_index,4) = -6.05779e-05
! ss + ac
j_index = 19
d_mdrh(j_index,1) = 269.5432407
d_mdrh(j_index,2) = -1.319963885
d_mdrh(j_index,3) = 0.002592363
d_mdrh(j_index,4) = -1.44479e-06
! ss + an
j_index = 20
d_mdrh(j_index,1) = 2841.334784
d_mdrh(j_index,2) = -31.1889487
d_mdrh(j_index,3) = 0.118809274
d_mdrh(j_index,4) = -1.53007e-4
! ss + an + ac
j_index = 21
d_mdrh(j_index,1) = 2199.36914
d_mdrh(j_index,2) = -24.11926569
d_mdrh(j_index,3) = 0.092932361
d_mdrh(j_index,4) = -1.21774e-4
! ss + as
j_index = 22
d_mdrh(j_index,1) = 395.0051604
d_mdrh(j_index,2) = -2.521101657
d_mdrh(j_index,3) = 0.006139319
d_mdrh(j_index,4) = -4.43756e-06
! ss + as + ac
j_index = 23
d_mdrh(j_index,1) = 386.5150675
d_mdrh(j_index,2) = -2.4632138
d_mdrh(j_index,3) = 0.006139319
d_mdrh(j_index,4) = -4.98796e-06
! ss + as + an
j_index = 24
d_mdrh(j_index,1) = 3101.538491
d_mdrh(j_index,2) = -34.19978105
d_mdrh(j_index,3) = 0.130118605
d_mdrh(j_index,4) = -1.66873e-4
! ss + as + an + ac
j_index = 25
d_mdrh(j_index,1) = 2307.579403
d_mdrh(j_index,2) = -25.43136774
d_mdrh(j_index,3) = 0.098064728
d_mdrh(j_index,4) = -1.28301e-4
! ss + sc
j_index = 26
d_mdrh(j_index,1) = 291.8309602
d_mdrh(j_index,2) = -1.828912974
d_mdrh(j_index,3) = 0.005053148
d_mdrh(j_index,4) = -4.57516e-06
! ss + sc + ac
j_index = 27
d_mdrh(j_index,1) = 188.3914345
d_mdrh(j_index,2) = -0.631345031
d_mdrh(j_index,3) = 0.000622807
d_mdrh(j_index,4) = 4.47196e-07
! ss + sn
j_index = 28
d_mdrh(j_index,1) = -167.1252839
d_mdrh(j_index,2) = 2.969828002
d_mdrh(j_index,3) = -0.010637255
d_mdrh(j_index,4) = 1.13175e-05
! ss + sn + ac
j_index = 29
d_mdrh(j_index,1) = 1516.782768
d_mdrh(j_index,2) = -15.7922661
d_mdrh(j_index,3) = 0.058942209
d_mdrh(j_index,4) = -7.5301e-05
! ss + sn + an
j_index = 30
d_mdrh(j_index,1) = 1739.963163
d_mdrh(j_index,2) = -19.06576022
d_mdrh(j_index,3) = 0.07454963
d_mdrh(j_index,4) = -9.94302e-05
! ss + sn + an + ac
j_index = 31
d_mdrh(j_index,1) = 2152.104877
d_mdrh(j_index,2) = -23.74998008
d_mdrh(j_index,3) = 0.092256654
d_mdrh(j_index,4) = -1.21953e-4
! ss + sn + sc
j_index = 32
d_mdrh(j_index,1) = 221.9976265
d_mdrh(j_index,2) = -1.311331272
d_mdrh(j_index,3) = 0.004406089
d_mdrh(j_index,4) = -5.88235e-06
! ss + sn + sc + ac
j_index = 33
d_mdrh(j_index,1) = 1205.645615
d_mdrh(j_index,2) = -12.71353459
d_mdrh(j_index,3) = 0.048803922
d_mdrh(j_index,4) = -6.41899e-05
! cc + ac
j_index = 34
d_mdrh(j_index,1) = 506.6737879
d_mdrh(j_index,2) = -3.723520818
d_mdrh(j_index,3) = 0.010814242
d_mdrh(j_index,4) = -1.21087e-05
! cc + sc
j_index = 35
d_mdrh(j_index,1) = -1123.523841
d_mdrh(j_index,2) = 14.08345977
d_mdrh(j_index,3) = -0.053687823
d_mdrh(j_index,4) = 6.52219e-05
! cc + sc + ac
j_index = 36
d_mdrh(j_index,1) = -1159.98607
d_mdrh(j_index,2) = 14.44309169
d_mdrh(j_index,3) = -0.054841073
d_mdrh(j_index,4) = 6.64259e-05
! cn + ac
j_index = 37
d_mdrh(j_index,1) = 756.0747916
d_mdrh(j_index,2) = -8.546826257
d_mdrh(j_index,3) = 0.035798677
d_mdrh(j_index,4) = -5.06629e-05
! cn + an
j_index = 38
d_mdrh(j_index,1) = 338.668191
d_mdrh(j_index,2) = -2.971223403
d_mdrh(j_index,3) = 0.012294866
d_mdrh(j_index,4) = -1.87558e-05
! cn + an + ac
j_index = 39
d_mdrh(j_index,1) = -53.18033508
d_mdrh(j_index,2) = 0.663911748
d_mdrh(j_index,3) = 9.16326e-4
d_mdrh(j_index,4) = -6.70354e-06
! cn + sc
j_index = 40
d_mdrh(j_index,1) = 3623.831129
d_mdrh(j_index,2) = -39.27226457
d_mdrh(j_index,3) = 0.144559515
d_mdrh(j_index,4) = -1.78159e-4
! cn + sc + ac
j_index = 41
d_mdrh(j_index,1) = 3436.656743
d_mdrh(j_index,2) = -37.16192684
d_mdrh(j_index,3) = 0.136641377
d_mdrh(j_index,4) = -1.68262e-4
! cn + sn
j_index = 42
d_mdrh(j_index,1) = 768.608476
d_mdrh(j_index,2) = -8.051517149
d_mdrh(j_index,3) = 0.032342332
d_mdrh(j_index,4) = -4.52224e-05
! cn + sn + ac
j_index = 43
d_mdrh(j_index,1) = 33.58027951
d_mdrh(j_index,2) = -0.308772182
d_mdrh(j_index,3) = 0.004713639
d_mdrh(j_index,4) = -1.19658e-05
! cn + sn + an
j_index = 44
d_mdrh(j_index,1) = 57.80183041
d_mdrh(j_index,2) = 0.215264604
d_mdrh(j_index,3) = 4.11406e-4
d_mdrh(j_index,4) = -4.30702e-06
! cn + sn + an + ac
j_index = 45
d_mdrh(j_index,1) = -234.368984
d_mdrh(j_index,2) = 2.721045204
d_mdrh(j_index,3) = -0.006688341
d_mdrh(j_index,4) = 2.31729e-06
! cn + sn + sc
j_index = 46
d_mdrh(j_index,1) = 3879.080557
d_mdrh(j_index,2) = -42.13562874
d_mdrh(j_index,3) = 0.155235005
d_mdrh(j_index,4) = -1.91387e-4
! cn + sn + sc + ac
j_index = 47
d_mdrh(j_index,1) = 3600.576985
d_mdrh(j_index,2) = -39.0283489
d_mdrh(j_index,3) = 0.143710316
d_mdrh(j_index,4) = -1.77167e-4
! cn + cc
j_index = 48
d_mdrh(j_index,1) = -1009.729826
d_mdrh(j_index,2) = 12.9145339
d_mdrh(j_index,3) = -0.049811146
d_mdrh(j_index,4) = 6.09563e-05
! cn + cc + ac
j_index = 49
d_mdrh(j_index,1) = -577.0919514
d_mdrh(j_index,2) = 8.020324227
d_mdrh(j_index,3) = -0.031469556
d_mdrh(j_index,4) = 3.82181e-05
! cn + cc + sc
j_index = 50
d_mdrh(j_index,1) = -728.9983499
d_mdrh(j_index,2) = 9.849458215
d_mdrh(j_index,3) = -0.03879257
d_mdrh(j_index,4) = 4.78844e-05
! cn + cc + sc + ac
j_index = 51
d_mdrh(j_index,1) = -803.7026845
d_mdrh(j_index,2) = 10.61881494
d_mdrh(j_index,3) = -0.041402993
d_mdrh(j_index,4) = 5.08084e-05
!
! sulfate-rich systems
! ab
j_index = 52
d_mdrh(j_index,1) = -493.6190458
d_mdrh(j_index,2) = 6.747053851
d_mdrh(j_index,3) = -0.026955267
d_mdrh(j_index,4) = 3.45118e-05
! lv
j_index = 53
d_mdrh(j_index,1) = 53.37874093
d_mdrh(j_index,2) = 1.01368249
d_mdrh(j_index,3) = -0.005887513
d_mdrh(j_index,4) = 8.94393e-06
! sb
j_index = 54
d_mdrh(j_index,1) = 206.619047
d_mdrh(j_index,2) = -1.342735684
d_mdrh(j_index,3) = 0.003197691
d_mdrh(j_index,4) = -1.93603e-06
! ab + lv
j_index = 55
d_mdrh(j_index,1) = -493.6190458
d_mdrh(j_index,2) = 6.747053851
d_mdrh(j_index,3) = -0.026955267
d_mdrh(j_index,4) = 3.45118e-05
! as + lv
j_index = 56
d_mdrh(j_index,1) = 53.37874093
d_mdrh(j_index,2) = 1.01368249
d_mdrh(j_index,3) = -0.005887513
d_mdrh(j_index,4) = 8.94393e-06
! ss + sb
j_index = 57
d_mdrh(j_index,1) = 206.619047
d_mdrh(j_index,2) = -1.342735684
d_mdrh(j_index,3) = 0.003197691
d_mdrh(j_index,4) = -1.93603e-06
! ss + lv
j_index = 58
d_mdrh(j_index,1) = 41.7619047
d_mdrh(j_index,2) = 1.303872053
d_mdrh(j_index,3) = -0.007647908
d_mdrh(j_index,4) = 1.17845e-05
! ss + as + lv
j_index = 59
d_mdrh(j_index,1) = 41.7619047
d_mdrh(j_index,2) = 1.303872053
d_mdrh(j_index,3) = -0.007647908
d_mdrh(j_index,4) = 1.17845e-05
! ss + ab
j_index = 60
d_mdrh(j_index,1) = -369.7142842
d_mdrh(j_index,2) = 5.512878771
d_mdrh(j_index,3) = -0.02301948
d_mdrh(j_index,4) = 3.0303e-05
! ss + lv + ab
j_index = 61
d_mdrh(j_index,1) = -369.7142842
d_mdrh(j_index,2) = 5.512878771
d_mdrh(j_index,3) = -0.02301948
d_mdrh(j_index,4) = 3.0303e-05
! sb + ab
j_index = 62
d_mdrh(j_index,1) = -162.8095232
d_mdrh(j_index,2) = 2.399326592
d_mdrh(j_index,3) = -0.009336219
d_mdrh(j_index,4) = 1.17845e-05
! ss + sb + ab
j_index = 63
d_mdrh(j_index,1) = -735.4285689
d_mdrh(j_index,2) = 8.885521857
d_mdrh(j_index,3) = -0.033488456
d_mdrh(j_index,4) = 4.12458e-05
call load_kappa_nonelectro
endif ! first
return
end subroutine load_mosaic_parameters
subroutine load_kappa_nonelectro
use module_data_mosaic_asect, only: &
hygro_oin_aer, hygro_oc_aer, hygro_bc_aer, &
hygro_pcg1_b_c_aer, hygro_pcg2_b_c_aer, hygro_pcg3_b_c_aer, &
hygro_pcg4_b_c_aer, hygro_pcg5_b_c_aer, hygro_pcg6_b_c_aer, &
hygro_pcg7_b_c_aer, hygro_pcg8_b_c_aer, hygro_pcg9_b_c_aer, &
hygro_pcg1_b_o_aer, hygro_pcg2_b_o_aer, hygro_pcg3_b_o_aer, &
hygro_pcg4_b_o_aer, hygro_pcg5_b_o_aer, hygro_pcg6_b_o_aer, &
hygro_pcg7_b_o_aer, hygro_pcg8_b_o_aer, hygro_pcg9_b_o_aer, &
hygro_opcg1_b_c_aer, hygro_opcg2_b_c_aer, hygro_opcg3_b_c_aer, &
hygro_opcg4_b_c_aer, hygro_opcg5_b_c_aer, hygro_opcg6_b_c_aer, &
hygro_opcg7_b_c_aer, hygro_opcg8_b_c_aer, &
hygro_opcg1_b_o_aer, hygro_opcg2_b_o_aer, hygro_opcg3_b_o_aer, &
hygro_opcg4_b_o_aer, hygro_opcg5_b_o_aer, hygro_opcg6_b_o_aer, &
hygro_opcg7_b_o_aer, hygro_opcg8_b_o_aer, &
hygro_pcg1_f_c_aer, hygro_pcg2_f_c_aer, hygro_pcg3_f_c_aer, &
hygro_pcg4_f_c_aer, hygro_pcg5_f_c_aer, hygro_pcg6_f_c_aer, &
hygro_pcg7_f_c_aer, hygro_pcg8_f_c_aer, hygro_pcg9_f_c_aer, &
hygro_pcg1_f_o_aer, hygro_pcg2_f_o_aer, hygro_pcg3_f_o_aer, &
hygro_pcg4_f_o_aer, hygro_pcg5_f_o_aer, hygro_pcg6_f_o_aer, &
hygro_pcg7_f_o_aer, hygro_pcg8_f_o_aer, hygro_pcg9_f_o_aer, &
hygro_opcg1_f_c_aer, hygro_opcg2_f_c_aer, hygro_opcg3_f_c_aer, &
hygro_opcg4_f_c_aer, hygro_opcg5_f_c_aer, hygro_opcg6_f_c_aer, &
hygro_opcg7_f_c_aer, hygro_opcg8_f_c_aer, &
hygro_opcg1_f_o_aer, hygro_opcg2_f_o_aer, hygro_opcg3_f_o_aer, &
hygro_opcg4_f_o_aer, hygro_opcg5_f_o_aer, hygro_opcg6_f_o_aer, &
hygro_opcg7_f_o_aer, hygro_opcg8_f_o_aer, &
hygro_ant1_c_aer, hygro_ant2_c_aer, hygro_ant3_c_aer, hygro_ant4_c_aer, &
hygro_ant1_o_aer, hygro_ant2_o_aer, hygro_ant3_o_aer, hygro_ant4_o_aer, &
hygro_biog1_c_aer, hygro_biog2_c_aer, hygro_biog3_c_aer, hygro_biog4_c_aer, &
hygro_biog1_o_aer, hygro_biog2_o_aer, hygro_biog3_o_aer, hygro_biog4_o_aer, &
hygro_smpa_aer, hygro_smpbb_aer, &
hygro_glysoa_r1_aer, hygro_glysoa_r2_aer, hygro_glysoa_oh_aer, &
hygro_glysoa_nh4_aer, hygro_glysoa_sfc_aer, &
hygro_asoaX_aer, hygro_asoa1_aer, hygro_asoa2_aer, &
hygro_asoa3_aer, hygro_asoa4_aer, &
hygro_bsoaX_aer, hygro_bsoa1_aer, hygro_bsoa2_aer, &
hygro_bsoa3_aer, hygro_bsoa4_aer
if (ioin_a > 0) kappa_nonelectro(ioin_a ) = hygro_oin_aer
if (ioc_a > 0) kappa_nonelectro(ioc_a ) = hygro_oc_aer
if (ibc_a > 0) kappa_nonelectro(ibc_a ) = hygro_bc_aer
if (ipcg1_b_c_a > 0) kappa_nonelectro(ipcg1_b_c_a ) = hygro_pcg1_b_c_aer
if (ipcg2_b_c_a > 0) kappa_nonelectro(ipcg2_b_c_a ) = hygro_pcg2_b_c_aer
if (ipcg3_b_c_a > 0) kappa_nonelectro(ipcg3_b_c_a ) = hygro_pcg3_b_c_aer
if (ipcg4_b_c_a > 0) kappa_nonelectro(ipcg4_b_c_a ) = hygro_pcg4_b_c_aer
if (ipcg5_b_c_a > 0) kappa_nonelectro(ipcg5_b_c_a ) = hygro_pcg5_b_c_aer
if (ipcg6_b_c_a > 0) kappa_nonelectro(ipcg6_b_c_a ) = hygro_pcg6_b_c_aer
if (ipcg7_b_c_a > 0) kappa_nonelectro(ipcg7_b_c_a ) = hygro_pcg7_b_c_aer
if (ipcg8_b_c_a > 0) kappa_nonelectro(ipcg8_b_c_a ) = hygro_pcg8_b_c_aer
if (ipcg9_b_c_a > 0) kappa_nonelectro(ipcg9_b_c_a ) = hygro_pcg9_b_c_aer
if (ipcg1_b_o_a > 0) kappa_nonelectro(ipcg1_b_o_a ) = hygro_pcg1_b_o_aer
if (ipcg2_b_o_a > 0) kappa_nonelectro(ipcg2_b_o_a ) = hygro_pcg2_b_o_aer
if (ipcg3_b_o_a > 0) kappa_nonelectro(ipcg3_b_o_a ) = hygro_pcg3_b_o_aer
if (ipcg4_b_o_a > 0) kappa_nonelectro(ipcg4_b_o_a ) = hygro_pcg4_b_o_aer
if (ipcg5_b_o_a > 0) kappa_nonelectro(ipcg5_b_o_a ) = hygro_pcg5_b_o_aer
if (ipcg6_b_o_a > 0) kappa_nonelectro(ipcg6_b_o_a ) = hygro_pcg6_b_o_aer
if (ipcg7_b_o_a > 0) kappa_nonelectro(ipcg7_b_o_a ) = hygro_pcg7_b_o_aer
if (ipcg8_b_o_a > 0) kappa_nonelectro(ipcg8_b_o_a ) = hygro_pcg8_b_o_aer
if (ipcg9_b_o_a > 0) kappa_nonelectro(ipcg9_b_o_a ) = hygro_pcg9_b_o_aer
if (iopcg1_b_c_a > 0) kappa_nonelectro(iopcg1_b_c_a ) = hygro_opcg1_b_c_aer
if (iopcg2_b_c_a > 0) kappa_nonelectro(iopcg2_b_c_a ) = hygro_opcg2_b_c_aer
if (iopcg3_b_c_a > 0) kappa_nonelectro(iopcg3_b_c_a ) = hygro_opcg3_b_c_aer
if (iopcg4_b_c_a > 0) kappa_nonelectro(iopcg4_b_c_a ) = hygro_opcg4_b_c_aer
if (iopcg5_b_c_a > 0) kappa_nonelectro(iopcg5_b_c_a ) = hygro_opcg5_b_c_aer
if (iopcg6_b_c_a > 0) kappa_nonelectro(iopcg6_b_c_a ) = hygro_opcg6_b_c_aer
if (iopcg7_b_c_a > 0) kappa_nonelectro(iopcg7_b_c_a ) = hygro_opcg7_b_c_aer
if (iopcg8_b_c_a > 0) kappa_nonelectro(iopcg8_b_c_a ) = hygro_opcg8_b_c_aer
if (iopcg1_b_o_a > 0) kappa_nonelectro(iopcg1_b_o_a ) = hygro_opcg1_b_o_aer
if (iopcg2_b_o_a > 0) kappa_nonelectro(iopcg2_b_o_a ) = hygro_opcg2_b_o_aer
if (iopcg3_b_o_a > 0) kappa_nonelectro(iopcg3_b_o_a ) = hygro_opcg3_b_o_aer
if (iopcg4_b_o_a > 0) kappa_nonelectro(iopcg4_b_o_a ) = hygro_opcg4_b_o_aer
if (iopcg5_b_o_a > 0) kappa_nonelectro(iopcg5_b_o_a ) = hygro_opcg5_b_o_aer
if (iopcg6_b_o_a > 0) kappa_nonelectro(iopcg6_b_o_a ) = hygro_opcg6_b_o_aer
if (iopcg7_b_o_a > 0) kappa_nonelectro(iopcg7_b_o_a ) = hygro_opcg7_b_o_aer
if (iopcg8_b_o_a > 0) kappa_nonelectro(iopcg8_b_o_a ) = hygro_opcg8_b_o_aer
if (ipcg1_f_c_a > 0) kappa_nonelectro(ipcg1_f_c_a ) = hygro_pcg1_f_c_aer
if (ipcg2_f_c_a > 0) kappa_nonelectro(ipcg2_f_c_a ) = hygro_pcg2_f_c_aer
if (ipcg3_f_c_a > 0) kappa_nonelectro(ipcg3_f_c_a ) = hygro_pcg3_f_c_aer
if (ipcg4_f_c_a > 0) kappa_nonelectro(ipcg4_f_c_a ) = hygro_pcg4_f_c_aer
if (ipcg5_f_c_a > 0) kappa_nonelectro(ipcg5_f_c_a ) = hygro_pcg5_f_c_aer
if (ipcg6_f_c_a > 0) kappa_nonelectro(ipcg6_f_c_a ) = hygro_pcg6_f_c_aer
if (ipcg7_f_c_a > 0) kappa_nonelectro(ipcg7_f_c_a ) = hygro_pcg7_f_c_aer
if (ipcg8_f_c_a > 0) kappa_nonelectro(ipcg8_f_c_a ) = hygro_pcg8_f_c_aer
if (ipcg9_f_c_a > 0) kappa_nonelectro(ipcg9_f_c_a ) = hygro_pcg9_f_c_aer
if (ipcg1_f_o_a > 0) kappa_nonelectro(ipcg1_f_o_a ) = hygro_pcg1_f_o_aer
if (ipcg2_f_o_a > 0) kappa_nonelectro(ipcg2_f_o_a ) = hygro_pcg2_f_o_aer
if (ipcg3_f_o_a > 0) kappa_nonelectro(ipcg3_f_o_a ) = hygro_pcg3_f_o_aer
if (ipcg4_f_o_a > 0) kappa_nonelectro(ipcg4_f_o_a ) = hygro_pcg4_f_o_aer
if (ipcg5_f_o_a > 0) kappa_nonelectro(ipcg5_f_o_a ) = hygro_pcg5_f_o_aer
if (ipcg6_f_o_a > 0) kappa_nonelectro(ipcg6_f_o_a ) = hygro_pcg6_f_o_aer
if (ipcg7_f_o_a > 0) kappa_nonelectro(ipcg7_f_o_a ) = hygro_pcg7_f_o_aer
if (ipcg8_f_o_a > 0) kappa_nonelectro(ipcg8_f_o_a ) = hygro_pcg8_f_o_aer
if (ipcg9_f_o_a > 0) kappa_nonelectro(ipcg9_f_o_a ) = hygro_pcg9_f_o_aer
if (iopcg1_f_c_a > 0) kappa_nonelectro(iopcg1_f_c_a ) = hygro_opcg1_f_c_aer
if (iopcg2_f_c_a > 0) kappa_nonelectro(iopcg2_f_c_a ) = hygro_opcg2_f_c_aer
if (iopcg3_f_c_a > 0) kappa_nonelectro(iopcg3_f_c_a ) = hygro_opcg3_f_c_aer
if (iopcg4_f_c_a > 0) kappa_nonelectro(iopcg4_f_c_a ) = hygro_opcg4_f_c_aer
if (iopcg5_f_c_a > 0) kappa_nonelectro(iopcg5_f_c_a ) = hygro_opcg5_f_c_aer
if (iopcg6_f_c_a > 0) kappa_nonelectro(iopcg6_f_c_a ) = hygro_opcg6_f_c_aer
if (iopcg7_f_c_a > 0) kappa_nonelectro(iopcg7_f_c_a ) = hygro_opcg7_f_c_aer
if (iopcg8_f_c_a > 0) kappa_nonelectro(iopcg8_f_c_a ) = hygro_opcg8_f_c_aer
if (iopcg1_f_o_a > 0) kappa_nonelectro(iopcg1_f_o_a ) = hygro_opcg1_f_o_aer
if (iopcg2_f_o_a > 0) kappa_nonelectro(iopcg2_f_o_a ) = hygro_opcg2_f_o_aer
if (iopcg3_f_o_a > 0) kappa_nonelectro(iopcg3_f_o_a ) = hygro_opcg3_f_o_aer
if (iopcg4_f_o_a > 0) kappa_nonelectro(iopcg4_f_o_a ) = hygro_opcg4_f_o_aer
if (iopcg5_f_o_a > 0) kappa_nonelectro(iopcg5_f_o_a ) = hygro_opcg5_f_o_aer
if (iopcg6_f_o_a > 0) kappa_nonelectro(iopcg6_f_o_a ) = hygro_opcg6_f_o_aer
if (iopcg7_f_o_a > 0) kappa_nonelectro(iopcg7_f_o_a ) = hygro_opcg7_f_o_aer
if (iopcg8_f_o_a > 0) kappa_nonelectro(iopcg8_f_o_a ) = hygro_opcg8_f_o_aer
if (iant1_c_a > 0) kappa_nonelectro(iant1_c_a ) = hygro_ant1_c_aer
if (iant2_c_a > 0) kappa_nonelectro(iant2_c_a ) = hygro_ant2_c_aer
if (iant3_c_a > 0) kappa_nonelectro(iant3_c_a ) = hygro_ant3_c_aer
if (iant4_c_a > 0) kappa_nonelectro(iant4_c_a ) = hygro_ant4_c_aer
if (iant1_o_a > 0) kappa_nonelectro(iant1_o_a ) = hygro_ant1_o_aer
if (iant2_o_a > 0) kappa_nonelectro(iant2_o_a ) = hygro_ant2_o_aer
if (iant3_o_a > 0) kappa_nonelectro(iant3_o_a ) = hygro_ant3_o_aer
if (iant4_o_a > 0) kappa_nonelectro(iant4_o_a ) = hygro_ant4_o_aer
if (ibiog1_c_a > 0) kappa_nonelectro(ibiog1_c_a ) = hygro_biog1_c_aer
if (ibiog2_c_a > 0) kappa_nonelectro(ibiog2_c_a ) = hygro_biog2_c_aer
if (ibiog3_c_a > 0) kappa_nonelectro(ibiog3_c_a ) = hygro_biog3_c_aer
if (ibiog4_c_a > 0) kappa_nonelectro(ibiog4_c_a ) = hygro_biog4_c_aer
if (ibiog1_o_a > 0) kappa_nonelectro(ibiog1_o_a ) = hygro_biog1_o_aer
if (ibiog2_o_a > 0) kappa_nonelectro(ibiog2_o_a ) = hygro_biog2_o_aer
if (ibiog3_o_a > 0) kappa_nonelectro(ibiog3_o_a ) = hygro_biog3_o_aer
if (ibiog4_o_a > 0) kappa_nonelectro(ibiog4_o_a ) = hygro_biog4_o_aer
if (ismpa_a > 0) kappa_nonelectro(ismpa_a ) = hygro_smpa_aer
if (ismpbb_a > 0) kappa_nonelectro(ismpbb_a ) = hygro_smpbb_aer
if (iglysoa_r1_a > 0) kappa_nonelectro(iglysoa_r1_a ) = hygro_glysoa_r1_aer
if (iglysoa_r2_a > 0) kappa_nonelectro(iglysoa_r2_a ) = hygro_glysoa_r2_aer
if (iglysoa_oh_a > 0) kappa_nonelectro(iglysoa_oh_a ) = hygro_glysoa_oh_aer
if (iglysoa_nh4_a > 0) kappa_nonelectro(iglysoa_nh4_a) = hygro_glysoa_nh4_aer
if (iglysoa_sfc_a > 0) kappa_nonelectro(iglysoa_sfc_a) = hygro_glysoa_sfc_aer
if (iasoaX_a > 0) kappa_nonelectro(iasoaX_a ) = hygro_asoaX_aer
if (iasoa1_a > 0) kappa_nonelectro(iasoa1_a ) = hygro_asoa1_aer
if (iasoa2_a > 0) kappa_nonelectro(iasoa2_a ) = hygro_asoa2_aer
if (iasoa3_a > 0) kappa_nonelectro(iasoa3_a ) = hygro_asoa3_aer
if (iasoa4_a > 0) kappa_nonelectro(iasoa4_a ) = hygro_asoa4_aer
if (ibsoaX_a > 0) kappa_nonelectro(ibsoaX_a ) = hygro_bsoaX_aer
if (ibsoa1_a > 0) kappa_nonelectro(ibsoa1_a ) = hygro_bsoa1_aer
if (ibsoa2_a > 0) kappa_nonelectro(ibsoa2_a ) = hygro_bsoa2_aer
if (ibsoa3_a > 0) kappa_nonelectro(ibsoa3_a ) = hygro_bsoa3_aer
if (ibsoa4_a > 0) kappa_nonelectro(ibsoa4_a ) = hygro_bsoa4_aer
return
end subroutine load_kappa_nonelectro
!***********************************************************************
! updates all temperature dependent thermodynamic parameters
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
subroutine update_thermodynamic_constants(vbs_nbin)
! implicit none
! include 'mosaic.h'
! local variables
integer iv, j_index, ibin, je,vbs_nbin(1)
integer start_ind
real(kind=8) :: tr, rt, term
real(kind=8) :: gam_nh4no3_0, gam_nh4cl_0, m_nh4no3_0, m_nh4cl_0 ! raz update 6/25/2008
! function
! real(kind=8) :: fn_keq, fn_po, drh_mutual, bin_molality, molality_0
tr = 298.15 ! reference temperature
rt = 82.056*t_k/(1.e9*1.e6) ! [m^3 atm/nmol]
! gas-liquid
keq_gl(1)= 1.0 ! kelvin effect (default)
keq_gl(2)= fn_keq(57.64d0 , 13.79d0, -5.39d0,t_k)*rt ! nh3(g) <=> nh3(l)
keq_gl(3)= fn_keq(2.63d6, 29.17d0, 16.83d0,t_k)*rt ! hno3(g) <=> no3- + h+
keq_gl(4)= fn_keq(2.00d6, 30.20d0, 19.91d0,t_k)*rt ! hcl(g) <=> cl- + h+
! liquid-liquid
keq_ll(1)= fn_keq(1.0502d-2, 8.85d0, 25.14d0,t_k) ! hso4- <=> so4= + h+
keq_ll(2)= fn_keq(1.805d-5, -1.50d0, 26.92d0,t_k) ! nh3(l) + h2o = nh4+ + oh-
keq_ll(3)= fn_keq(1.01d-14,-22.52d0, 26.92d0,t_k) ! h2o(l) <=> h+ + oh-
kp_nh3 = keq_ll(3)/(keq_ll(2)*keq_gl(2))
kp_nh4no3= kp_nh3/keq_gl(3)
kp_nh4cl = kp_nh3/keq_gl(4)
! solid-gas
keq_sg(1)= fn_keq(4.72d-17,-74.38d0,6.12d0,t_k)/rt**2 ! nh4no3<=>nh3(g)+hno3(g)
keq_sg(2)= fn_keq(8.43d-17,-71.00d0,2.40d0,t_k)/rt**2 ! nh4cl <=>nh3(g)+hcl(g)
! solid-liquid
keq_sl(jnh4so4) = fn_keq(1.040d0,-2.65d0, 38.57d0, t_k) ! amso4(s) = 2nh4+ + so4=
keq_sl(jlvcite) = fn_keq(11.8d0, -5.19d0, 54.40d0, t_k) ! lvcite(s)= 3nh4+ + hso4- + so4=
keq_sl(jnh4hso4)= fn_keq(117.0d0,-2.87d0, 15.83d0, t_k) ! amhso4(s)= nh4+ + hso4-
keq_sl(jnh4msa) = 1.e15 ! NH4MSA(s)= NH4+ + MSA-
keq_sl(jnh4no3) = fn_keq(12.21d0,-10.4d0, 17.56d0, t_k) ! nh4no3(s)= nh4+ + no3-
keq_sl(jnh4cl) = fn_keq(17.37d0,-6.03d0, 16.92d0, t_k) ! nh4cl(s) = nh4+ + cl-
keq_sl(jna2so4) = fn_keq(0.491d0, 0.98d0, 39.75d0, t_k) ! na2so4(s)= 2na+ + so4=
keq_sl(jnahso4) = fn_keq(313.0d0, 0.8d0, 14.79d0, t_k) ! nahso4(s)= na+ + hso4-
keq_sl(jna3hso4)= 1.e15 ! na3h(so4)2(s) = 2na+ + hso4- + so4=
keq_sl(jnamsa) = 1.e15 ! NaMSA(s) = Na+ + MSA-
keq_sl(jnano3) = fn_keq(11.95d0,-8.22d0, 16.01d0, t_k) ! nano3(s) = na+ + no3-
keq_sl(jnacl) = fn_keq(38.28d0,-1.52d0, 16.89d0, t_k) ! nacl(s) = na+ + cl-
keq_sl(jcacl2) = fn_keq(8.0d11,32.84d0,44.79d0, t_k)*1.e5 ! cacl2(s) = ca++ + 2cl-
keq_sl(jcano3) = fn_keq(4.31d5, 7.83d0,42.01d0, t_k)*1.e5 ! ca(no3)2(s) = ca++ + 2no3-
keq_sl(jcamsa2) = 1.e15 ! CaMSA2(s)= Ca+ + 2MSA-
start_ind = 1
if (vbs_nbin(1).eq.0) then
start_ind = ismpa_g
else if (vbs_nbin(1) .eq. 4) then
start_ind = iasoaX_g
else
start_ind = ipcg1_b_c_g
endif
do iv = start_ind, ngas_ioa + ngas_soa
sat_soa(iv) = 0.0 ! [nmol/m^3(air)]
enddo
if (vbs_nbin(1).eq.9) then
! vapor pressures of soa species
po_soa(ipcg1_b_c_g) = fn_po(9.91d-8, 112.0d0, T_K) ! [Pascal]
po_soa(ipcg2_b_c_g) = fn_po(9.91d-7, 106.0d0, T_K) ! [Pascal]
po_soa(ipcg3_b_c_g) = fn_po(9.91d-6, 100.0d0, T_K) ! [Pascal]
po_soa(ipcg4_b_c_g) = fn_po(9.91d-5, 94.0d0, T_K) ! [Pascal]
po_soa(ipcg5_b_c_g) = fn_po(9.91d-4, 88.0d0, T_K) ! [Pascal]
po_soa(ipcg6_b_c_g) = fn_po(9.91d-3, 82.0d0, T_K) ! [Pascal]
po_soa(ipcg7_b_c_g) = fn_po(9.91d-2, 76.0d0, T_K) ! [Pascal]
po_soa(ipcg8_b_c_g) = fn_po(9.91d-1, 70.0d0, T_K) ! [Pascal]
po_soa(ipcg9_b_c_g) = fn_po(9.91d0, 64.0d0, T_K) ! [Pascal]
po_soa(iopcg1_b_c_g) = fn_po(9.91d-8, 112.0d0, T_K) ! [Pascal]
po_soa(iopcg2_b_c_g) = fn_po(9.91d-7, 106.0d0, T_K) ! [Pascal]
po_soa(iopcg3_b_c_g) = fn_po(9.91d-6, 100.0d0, T_K) ! [Pascal]
po_soa(iopcg4_b_c_g) = fn_po(9.91d-5, 94.0d0, T_K) ! [Pascal]
po_soa(iopcg5_b_c_g) = fn_po(9.91d-4, 88.0d0, T_K) ! [Pascal]
po_soa(iopcg6_b_c_g) = fn_po(9.91d-3, 82.0d0, T_K) ! [Pascal]
po_soa(iopcg7_b_c_g) = fn_po(9.91d-2, 76.0d0, T_K) ! [Pascal]
po_soa(iopcg8_b_c_g) = fn_po(9.91d-1, 70.0d0, T_K) ! [Pascal]
po_soa(ipcg1_b_o_g) = fn_po(9.91d-8, 112.0d0, T_K) ! [Pascal]
po_soa(ipcg2_b_o_g) = fn_po(9.91d-7, 106.0d0, T_K) ! [Pascal]
po_soa(ipcg3_b_o_g) = fn_po(9.91d-6, 100.0d0, T_K) ! [Pascal]
po_soa(ipcg4_b_o_g) = fn_po(9.91d-5, 94.0d0, T_K) ! [Pascal]
po_soa(ipcg5_b_o_g) = fn_po(9.91d-4, 88.0d0, T_K) ! [Pascal]
po_soa(ipcg6_b_o_g) = fn_po(9.91d-3, 82.0d0, T_K) ! [Pascal]
po_soa(ipcg7_b_o_g) = fn_po(9.91d-2, 76.0d0, T_K) ! [Pascal]
po_soa(ipcg8_b_o_g) = fn_po(9.91d-1, 70.0d0, T_K) ! [Pascal]
po_soa(ipcg9_b_o_g) = fn_po(9.91d0, 64.0d0, T_K) ! [Pascal]
po_soa(iopcg1_b_o_g) = fn_po(9.91d-8, 112.0d0, T_K) ! [Pascal]
po_soa(iopcg2_b_o_g) = fn_po(9.91d-7, 106.0d0, T_K) ! [Pascal]
po_soa(iopcg3_b_o_g) = fn_po(9.91d-6, 100.0d0, T_K) ! [Pascal]
po_soa(iopcg4_b_o_g) = fn_po(9.91d-5, 94.0d0, T_K) ! [Pascal]
po_soa(iopcg5_b_o_g) = fn_po(9.91d-4, 88.0d0, T_K) ! [Pascal]
po_soa(iopcg6_b_o_g) = fn_po(9.91d-3, 82.0d0, T_K) ! [Pascal]
po_soa(iopcg7_b_o_g) = fn_po(9.91d-2, 76.0d0, T_K) ! [Pascal]
po_soa(iopcg8_b_o_g) = fn_po(9.91d-1, 70.0d0, T_K) ! [Pascal]
po_soa(ipcg1_f_c_g) = fn_po(9.91d-8, 112.0d0, T_K) ! [Pascal]
po_soa(ipcg2_f_c_g) = fn_po(9.91d-7, 106.0d0, T_K) ! [Pascal]
po_soa(ipcg3_f_c_g) = fn_po(9.91d-6, 100.0d0, T_K) ! [Pascal]
po_soa(ipcg4_f_c_g) = fn_po(9.91d-5, 94.0d0, T_K) ! [Pascal]
po_soa(ipcg5_f_c_g) = fn_po(9.91d-4, 88.0d0, T_K) ! [Pascal]
po_soa(ipcg6_f_c_g) = fn_po(9.91d-3, 82.0d0, T_K) ! [Pascal]
po_soa(ipcg7_f_c_g) = fn_po(9.91d-2, 76.0d0, T_K) ! [Pascal]
po_soa(ipcg8_f_c_g) = fn_po(9.91d-1, 70.0d0, T_K) ! [Pascal]
po_soa(ipcg9_f_c_g) = fn_po(9.91d0, 64.0d0, T_K) ! [Pascal]
po_soa(iopcg1_f_c_g) = fn_po(9.91d-8, 112.0d0, T_K) ! [Pascal]
po_soa(iopcg2_f_c_g) = fn_po(9.91d-7, 106.0d0, T_K) ! [Pascal]
po_soa(iopcg3_f_c_g) = fn_po(9.91d-6, 100.0d0, T_K) ! [Pascal]
po_soa(iopcg4_f_c_g) = fn_po(9.91d-5, 94.0d0, T_K) ! [Pascal]
po_soa(iopcg5_f_c_g) = fn_po(9.91d-4, 88.0d0, T_K) ! [Pascal]
po_soa(iopcg6_f_c_g) = fn_po(9.91d-3, 82.0d0, T_K) ! [Pascal]
po_soa(iopcg7_f_c_g) = fn_po(9.91d-2, 76.0d0, T_K) ! [Pascal]
po_soa(iopcg8_f_c_g) = fn_po(9.91d-1, 70.0d0, T_K) ! [Pascal]
po_soa(ipcg1_f_o_g) = fn_po(9.91d-8, 112.0d0, T_K) ! [Pascal]
po_soa(ipcg2_f_o_g) = fn_po(9.91d-7, 106.0d0, T_K) ! [Pascal]
po_soa(ipcg3_f_o_g) = fn_po(9.91d-6, 100.0d0, T_K) ! [Pascal]
po_soa(ipcg4_f_o_g) = fn_po(9.91d-5, 94.0d0, T_K) ! [Pascal]
po_soa(ipcg5_f_o_g) = fn_po(9.91d-4, 88.0d0, T_K) ! [Pascal]
po_soa(ipcg6_f_o_g) = fn_po(9.91d-3, 82.0d0, T_K) ! [Pascal]
po_soa(ipcg7_f_o_g) = fn_po(9.91d-2, 76.0d0, T_K) ! [Pascal]
po_soa(ipcg8_f_o_g) = fn_po(9.91d-1, 70.0d0, T_K) ! [Pascal]
po_soa(ipcg9_f_o_g) = fn_po(9.91d0, 64.0d0, T_K) ! [Pascal]
po_soa(iopcg1_f_o_g) = fn_po(9.91d-8, 112.0d0, T_K) ! [Pascal]
po_soa(iopcg2_f_o_g) = fn_po(9.91d-7, 106.0d0, T_K) ! [Pascal]
po_soa(iopcg3_f_o_g) = fn_po(9.91d-6, 100.0d0, T_K) ! [Pascal]
po_soa(iopcg4_f_o_g) = fn_po(9.91d-5, 94.0d0, T_K) ! [Pascal]
po_soa(iopcg5_f_o_g) = fn_po(9.91d-4, 88.0d0, T_K) ! [Pascal]
po_soa(iopcg6_f_o_g) = fn_po(9.91d-3, 82.0d0, T_K) ! [Pascal]
po_soa(iopcg7_f_o_g) = fn_po(9.91d-2, 76.0d0, T_K) ! [Pascal]
po_soa(iopcg8_f_o_g) = fn_po(9.91d-1, 70.0d0, T_K) ! [Pascal]
po_soa(iant1_c_g) = fn_po(9.91d-6, 100.0d0, T_K) ! [Pascal]
po_soa(iant2_c_g) = fn_po(9.91d-5, 94.0d0, T_K) ! [Pascal]
po_soa(iant3_c_g) = fn_po(9.91d-4, 88.0d0, T_K) ! [Pascal]
po_soa(iant4_c_g) = fn_po(9.91d-3, 82.0d0, T_K) ! [Pascal]
po_soa(iant1_o_g) = fn_po(9.91d-6, 100.0d0, T_K) ! [Pascal]
po_soa(iant2_o_g) = fn_po(9.91d-5, 94.0d0, T_K) ! [Pascal]
po_soa(iant3_o_g) = fn_po(9.91d-4, 88.0d0, T_K) ! [Pascal]
po_soa(iant4_o_g) = fn_po(9.91d-3, 82.0d0, T_K) ! [Pascal]
po_soa(ibiog1_c_g) = fn_po(9.91d-6, 100.0d0, T_K) ! [Pascal]
po_soa(ibiog2_c_g) = fn_po(9.91d-5, 94.0d0, T_K) ! [Pascal]
po_soa(ibiog3_c_g) = fn_po(9.91d-4, 88.0d0, T_K) ! [Pascal]
po_soa(ibiog4_c_g) = fn_po(9.91d-3, 82.0d0, T_K) ! [Pascal]
po_soa(ibiog1_o_g) = fn_po(9.91d-6, 100.0d0, T_K) ! [Pascal]
po_soa(ibiog2_o_g) = fn_po(9.91d-5, 94.0d0, T_K) ! [Pascal]
po_soa(ibiog3_o_g) = fn_po(9.91d-4, 88.0d0, T_K) ! [Pascal]
po_soa(ibiog4_o_g) = fn_po(9.91d-3, 82.0d0, T_K) ! [Pascal]
endif
if (vbs_nbin(1).eq.4) then
po_soa(iasoaX_g) = fn_po(9.91d-10, 40.0d0, T_K) ! [Pascal]
po_soa(iasoa1_g) = fn_po(9.91d-6, dhr_approx(0.0d0), T_K) ! [Pascal]
po_soa(iasoa2_g) = fn_po(9.91d-5, dhr_approx(1.0d0), T_K) ! [Pascal]
po_soa(iasoa3_g) = fn_po(9.91d-4, dhr_approx(2.0d0), T_K) ! [Pascal]
po_soa(iasoa4_g) = fn_po(9.91d-3, dhr_approx(3.0d0), T_K) ! [Pascal]
po_soa(ibsoaX_g) = fn_po(9.91d-10, 40.0d0, T_K) ! [Pascal]
po_soa(ibsoa1_g) = fn_po(9.91d-6, dhr_approx(0.0d0), T_K) ! [Pascal]
po_soa(ibsoa2_g) = fn_po(9.91d-5, dhr_approx(1.0d0), T_K) ! [Pascal]
po_soa(ibsoa3_g) = fn_po(9.91d-4, dhr_approx(2.0d0), T_K) ! [Pascal]
po_soa(ibsoa4_g) = fn_po(9.91d-3, dhr_approx(3.0d0), T_K) ! [Pascal]
endif
if (vbs_nbin(1).eq.3) then
! these values for pcg and opcg gases are the same as vbs_nbin(1)==2
! below
po_soa(ipcg1_b_c_g) = fn_po(9.91d-8, 83.0d0, T_K) ! [Pascal]
po_soa(ipcg2_b_c_g) = fn_po(9.91d-1, 83.0d0, T_K) ! [Pascal]
po_soa(iopcg1_b_c_g) = fn_po(9.91d-8, 83.0d0, T_K) ! [Pascal]
po_soa(ipcg1_b_o_g) = fn_po(9.91d-8, 83.0d0, T_K) ! [Pascal]
po_soa(ipcg2_b_o_g) = fn_po(9.91d-1, 83.0d0, T_K) ! [Pascal]
po_soa(iopcg1_b_o_g) = fn_po(9.91d-8, 83.0d0, T_K) ! [Pascal]
po_soa(ipcg1_f_c_g) = fn_po(9.91d-8, 83.0d0, T_K) ! [Pascal]
po_soa(ipcg2_f_c_g) = fn_po(9.91d-1, 83.0d0, T_K) ! [Pascal]
po_soa(iopcg1_f_c_g) = fn_po(9.91d-8, 83.0d0, T_K) ! [Pascal]
po_soa(ipcg1_f_o_g) = fn_po(9.91d-8, 83.0d0, T_K) ! [Pascal]
po_soa(ipcg2_f_o_g) = fn_po(9.91d-1, 83.0d0, T_K) ! [Pascal]
po_soa(iopcg1_f_o_g) = fn_po(9.91d-8, 83.0d0, T_K) ! [Pascal]
! these values for ant and bio gases are from manish wrfchem 3.5
po_soa(iant1_c_g) = fn_po(9.91d-7, 106.0d0, T_K) ! [Pascal]
po_soa(iant2_c_g) = fn_po(9.91d-6, 100.0d0, T_K) ! [Pascal]
po_soa(iant3_c_g) = fn_po(9.91d-5, 94.0d0, T_K) ! [Pascal]
po_soa(iant4_c_g) = fn_po(9.91d-4, 88.0d0, T_K) ! [Pascal]
po_soa(ibiog1_c_g) = fn_po(9.91d-7, 106.0d0, T_K) ! [Pascal]
po_soa(ibiog2_c_g) = fn_po(9.91d-6, 100.0d0, T_K) ! [Pascal]
po_soa(ibiog3_c_g) = fn_po(9.91d-5, 94.0d0, T_K) ! [Pascal]
po_soa(ibiog1_o_g) = fn_po(9.91d-7, 106.0d0, T_K) ! [Pascal]
po_soa(ibiog2_o_g) = fn_po(9.91d-6, 100.0d0, T_K) ! [Pascal]
endif
if (vbs_nbin(1).eq.2) then
po_soa(ipcg1_b_c_g) = fn_po(9.91d-8, 83.0d0, T_K) ! [Pascal]
po_soa(ipcg2_b_c_g) = fn_po(9.91d-1, 83.0d0, T_K) ! [Pascal]
po_soa(iopcg1_b_c_g) = fn_po(9.91d-8, 83.0d0, T_K) ! [Pascal]
po_soa(ipcg1_b_o_g) = fn_po(9.91d-8, 83.0d0, T_K) ! [Pascal]
po_soa(ipcg2_b_o_g) = fn_po(9.91d-1, 83.0d0, T_K) ! [Pascal]
po_soa(iopcg1_b_o_g) = fn_po(9.91d-8, 83.0d0, T_K) ! [Pascal]
po_soa(ipcg1_f_c_g) = fn_po(9.91d-8, 83.0d0, T_K) ! [Pascal]
po_soa(ipcg2_f_c_g) = fn_po(9.91d-1, 83.0d0, T_K) ! [Pascal]
po_soa(iopcg1_f_c_g) = fn_po(9.91d-8, 83.0d0, T_K) ! [Pascal]
po_soa(ipcg1_f_o_g) = fn_po(9.91d-8, 83.0d0, T_K) ! [Pascal]
po_soa(ipcg2_f_o_g) = fn_po(9.91d-1, 83.0d0, T_K) ! [Pascal]
po_soa(iopcg1_f_o_g) = fn_po(9.91d-8, 83.0d0, T_K) ! [Pascal]
po_soa(iant1_c_g) = fn_po(9.91d-6, 83.0d0, T_K) ! [Pascal]
po_soa(iant1_o_g) = fn_po(9.91d-6, 83.0d0, T_K) ! [Pascal]
po_soa(ibiog1_c_g) = fn_po(9.91d-6, 83.0d0, T_K) ! [Pascal]
po_soa(ibiog1_o_g) = fn_po(9.91d-6, 83.0d0, T_K) ! [Pascal]
endif
if (vbs_nbin(1).eq.0) then
po_soa(ismpa_g) = fn_po(9.91d-8, 83.0d0, T_K) ! [Pascal]
po_soa(ismpbb_g) = fn_po(9.91d-8, 83.0d0, T_K) ! [Pascal]
po_soa(ibiog1_c_g) = fn_po(9.91d-6, 83.0d0, T_K) ! [Pascal]
po_soa(ibiog1_o_g) = fn_po(9.91d-6, 83.0d0, T_K) ! [Pascal]
endif
start_ind = 1
if (vbs_nbin(1).eq.0) then
start_ind = ismpa_g
else if (vbs_nbin(1).eq.4) then
start_ind = iasoaX_g
else
start_ind = ipcg1_b_c_g
end if
do iv = start_ind, ngas_ioa + ngas_soa
sat_soa(iv) = 1.e9*po_soa(iv)/(8.314*t_k) ! [nmol/m^3(air)]
enddo
! water surface tension
term = (647.15 - t_k)/647.15
sigma_water = 0.2358*term**1.256 * (1. - 0.625*term) ! surface tension of pure water in n/m
! mdrh(t)
do j_index = 1, 63
mdrh_t(j_index) = drh_mutual(j_index)
enddo
! rh dependent parameters
do ibin = 1, nbin_a
ah2o_a(ibin) = ah2o ! initialize
enddo
call mtem_compute_log_gamz ! function of ah2o and t
! raz update 6/25/2008 - start
gam_nh4no3_0 = 10.**log_gamZ(jnh4no3,jnh4no3)
gam_nh4cl_0 = 10.**log_gamZ(jnh4cl,jnh4cl)
m_nh4no3_0 = molality_0(jnh4no3)
m_nh4cl_0 = molality_0(jnh4cl)
Kp_nh4no3_0 = Kp_nh4no3*(m_nh4no3_0*gam_nh4no3_0)**2
Kp_nh4cl_0 = Kp_nh4cl *(m_nh4cl_0 *gam_nh4cl_0 )**2
! raz update 6/25/2008 - end
return
end subroutine update_thermodynamic_constants
! Function to approximate enthalpy of vaporization for
! semi-volatile organic aerosols as a function of volatility
! from Epstein et al., ES&T, 2010
! http://pubs.acs.org/doi/abs/10.1021/es902497z
real(kind=8) function dhr_approx(log10_Csat_298)
real(kind=8), intent(in) :: log10_Csat_298
dhr_approx = -11.0 * log10_Csat_298 + 131.0 ! kJ/mol
end function dhr_approx
!***********************************************************************
! functions used in mosaic
!
! author: rahul a. zaveri
! update: jan 2005
!-----------------------------------------------------------------------
!----------------------------------------------------------
real(kind=8) function fn_keq(keq_298, a, b, t)
! implicit none
! subr. arguments
real(kind=8) keq_298, a, b, t
! local variables
real(kind=8) tt
tt = 298.15/t
fn_keq = keq_298*exp(a*(tt-1.)+b*(1.+log(tt)-tt))
return
end function fn_keq
!----------------------------------------------------------
!----------------------------------------------------------
real(kind=8) function fn_po(po_298, dh, t) ! touch
! implicit none
! subr. arguments
real(kind=8) po_298, dh, t
! local variables
fn_po = po_298*exp(-(dh/8.314e-3)*(1./t - 3.354016435e-3))
return
end function fn_po
!----------------------------------------------------------
!----------------------------------------------------------
real(kind=8) function drh_mutual(j_index)
! implicit none
! include 'mosaic.h'
! subr. arguments
integer j_index
! local variables
integer j
j = j_index
if(j_index .eq. 7 .or. j_index .eq. 8 .or. &
(j_index.ge. 34 .and. j_index .le. 51))then
drh_mutual = 10.0 ! cano3 or cacl2 containing mixtures
else
drh_mutual = d_mdrh(j,1) + t_k* &
(d_mdrh(j,2) + t_k* &
(d_mdrh(j,3) + t_k* &
d_mdrh(j,4) )) + 1.0
endif
return
end function drh_mutual
!----------------------------------------------------------
!----------------------------------------------------------
! zsr method at 60% rh
!
real(kind=8) function aerosol_water_up(ibin) ! kg (water)/m^3 (air)
! implicit none
! include 'mosaic.h'
! subr. arguments
integer ibin
! local variables
integer jp, je
real(kind=8) dum
! function
! real(kind=8) bin_molality_60
jp = jtotal
dum = 0.0
do je = 1, (nsalt+4) ! include hno3 and hcl in water calculation
dum = dum + 1.e-9*electrolyte(je,jp,ibin)/bin_molality_60(je)
enddo
aerosol_water_up = dum
return
end function aerosol_water_up
!----------------------------------------------------------
!----------------------------------------------------------
! zsr method
!
! RAZ 5/21/2014: Included organics, oin, and bc in water absorption (but does not include organic-inorganic interactions)
!
real(kind=8) function aerosol_water(jp,ibin) ! kg (water)/m^3 (air)
! implicit none
! include 'mosaic.h'
! subr. arguments
integer jp, ibin
! local variables
integer ja, je
real(kind=8) dum, tmpa
! function
! real(kind=8) bin_molality
dum = 0.0
do je = 1, (nsalt+4) ! include hno3 and hcl in water calculation
dum = dum + electrolyte(je,jp,ibin)/bin_molality(je,ibin)
enddo
if (mwater_kappa_nonelectro > 0) then
tmpa = 0.0
do ja = 1, naer
if (kappa_nonelectro(ja) > 0.0) then
tmpa = tmpa + (aer(ja,jtotal,ibin)*mw_aer_mac(ja)/dens_aer_mac(ja))*kappa_nonelectro(ja)
end if
end do
dum = dum + 1.0e-3*tmpa*aH2O_a(ibin)/(1.0-aH2O_a(ibin))
end if
aerosol_water = dum*1.e-9 ! kg(water)/m^3(air)
if(aerosol_water .le. 0.0)then
if (iprint_mosaic_diag1 .gt. 0) then
write(6,*)'mosaic aerosol_water - water .le. 0'
write(6,*)'iclm jclm ibin jp = ', &
iclm_aer, jclm_aer, ibin, jp
write(6,*)'ah2o, water = ', ah2o, aerosol_water
write(6,*)'dry mass = ', mass_dry_a(ibin)
write(6,*)'soluble mass = ', mass_soluble_a(ibin)
write(6,*)'number = ', num_a(ibin)
do je = 1, nsoluble
write(6,44)ename(je), electrolyte(je,jp,ibin)
enddo
write(6,*)'error in water calculation'
write(6,*)'ibin = ', ibin
write(6,*)'water content cannot be negative or zero'
write(6,*)'setting jaerosolstate to all_solid'
endif
call print_input
jaerosolstate(ibin) = all_solid
jphase(ibin) = jsolid
jhyst_leg(ibin) = jhyst_lo
!c write(6,*)'stopping execution in function aerosol_water'
!c stop
endif
44 format(a7, 2x, e11.3)
return
end function aerosol_water
!----------------------------------------------------------
!----------------------------------------------------------
real(kind=8) function bin_molality(je,ibin)
! implicit none
! include 'mosaic.h'
! subr. arguments
integer je, ibin
! local variables
real(kind=8) aw, xm
aw = max(ah2o_a(ibin), aw_min(je))
aw = min(aw, 0.999999D0)
if(aw .lt. 0.97)then
xm = a_zsr(1,je) + &
aw*(a_zsr(2,je) + &
aw*(a_zsr(3,je) + &
aw*(a_zsr(4,je) + &
aw*(a_zsr(5,je) + &
aw* a_zsr(6,je) ))))
bin_molality = 55.509*xm/(1. - xm)
else
bin_molality = -b_zsr(je)*log(aw)
endif
return
end function bin_molality
!----------------------------------------------------------
!----------------------------------------------------------
real(kind=8) function bin_molality_60(je)
! implicit none
! include 'mosaic.h'
! subr. arguments
integer je
! local variables
real(kind=8) aw, xm
aw = 0.6
xm = a_zsr(1,je) + aw* &
(a_zsr(2,je) + aw* &
(a_zsr(3,je) + aw* &
(a_zsr(4,je) + aw* &
(a_zsr(5,je) + aw* &
a_zsr(6,je) ))))
bin_molality_60 = 55.509*xm/(1. - xm)
return
end function bin_molality_60
!----------------------------------------------------------
!----------------------------------------------------------
! raz update 6/25/2008 - start
real(kind=8) function molality_0(je)
! implicit none
! subr. arguments
integer je
! local variables
real(kind=8) :: aw, xm
aw = max(ah2o, aw_min(je))
aw = min(aw, 0.999999d0)
if(aw .lt. 0.97)then
xm = a_zsr(1,je) + &
aw*(a_zsr(2,je) + &
aw*(a_zsr(3,je) + &
aw*(a_zsr(4,je) + &
aw*(a_zsr(5,je) + &
aw* a_zsr(6,je) ))))
molality_0 = 55.509*xm/(1. - xm)
else
molality_0 = -b_zsr(je)*log(aw)
endif
return
end function molality_0
! raz update 6/25/2008 - end
!----------------------------------------------------------
!----------------------------------------------------------
real(kind=8) function fnlog_gamz(ja,je) ! ja in je
! implicit none
! include 'mosaic.h'
! subr. arguments
integer ja, je
! local variables
real(kind=8) aw
aw = max(ah2o, aw_min(je))
fnlog_gamz = b_mtem(1,ja,je) + aw* &
(b_mtem(2,ja,je) + aw* &
(b_mtem(3,ja,je) + aw* &
(b_mtem(4,ja,je) + aw* &
(b_mtem(5,ja,je) + aw* &
b_mtem(6,ja,je) ))))
return
end function fnlog_gamz
!----------------------------------------------------------
!----------------------------------------------------------
real(kind=8) function mean_molecular_speed(t, mw) ! in cm/s
! implicit none
! subr. arguments
real(kind=8) t, mw ! t(k)
mean_molecular_speed = 1.455e4 * sqrt(t/mw)
return
end function mean_molecular_speed
!----------------------------------------------------------
!----------------------------------------------------------
real(kind=8) function gas_diffusivity(t, p, mw, vm) ! in cm^2/s
! implicit none
! subr. arguments
real(kind=8) mw, vm, t, p ! t(k), p(atm)
gas_diffusivity = (1.0e-3 * t**1.75 * sqrt(1./mw + 0.035))/ &
(p * (vm**0.333333 + 2.7189)**2)
return
end function gas_diffusivity
!----------------------------------------------------------
!----------------------------------------------------------
real(kind=8) function fuchs_sutugin(rkn,a)
! implicit none
! subr. arguments
real(kind=8) rkn, a
! local variables
real(kind=8) rnum, denom
rnum = 0.75*a*(1. + rkn)
denom = rkn**2 + rkn + 0.283*rkn*a + 0.75*a
fuchs_sutugin = rnum/denom
return
end function fuchs_sutugin
!----------------------------------------------------------
!----------------------------------------------------------
real(kind=8) function acc_n2o5_bert_thorn(mass_h2o,mol_no3,mol_cl,vol)
! Composition dependent mass accommodation coefficient.
! After Bertram and Thornton, ACP, 2009
!
! acc_N2O5 = A*(b-b*exp(-d*[H2O(l)]))
! * (1-1/(1+(k3'*[H2O(l)]/[NO3-])+(k4'*[Cl-]/[NO3-])))
! where:
! acc_N2O5 = accommodation coefficient of N2O5 on the aerosol
! A = factor for experimental conditions = 3.2e-8 s
! b = 1.15e6 s^-1
! d = 1.3e-1 M^-1
! [H2O(l)] = H2O Molarity
! k3' (=k3/k2b) = 6.0e-2
! k4' (=k4/k2b) = 29e0
! [Cl-] = Cl- Molarity
! [NO3-] = NO3- Molarity
! define set factors for scheme
real(kind=8), parameter :: A_bt = 3.2e-8
real(kind=8), parameter :: b_bt = 1.15e6
real(kind=8), parameter :: d_bt = 1.3e-1
real(kind=8), parameter :: k3_bt = 6.0e-2
real(kind=8), parameter :: k4_bt = 29e0
! internal conversion factors
real(kind=8), parameter :: nmol_mol = 1e-9 ! convert nmol->mol
real(kind=8), parameter :: m3_litre = 1e3 ! convert m3->litre
real(kind=8), parameter :: mm_h2o = 18e-3 ! molar mass (kg/mol)
! input variables
real(kind=8) :: mass_h2o ! kg(water)/m^3(air)
real(kind=8) :: mol_no3 ! nmol/m^3(air?)
real(kind=8) :: mol_cl ! nmol/m^3(air?)
real(kind=8) :: vol ! cc/cc(air) - wet volume
! internal variables
real(kind=8) :: part_step
real(kind=8) :: aer_h2o, aer_no3, aer_cl ! molarity - mol/litre(solution)
! extract and convert aerosol data from inputs to Moles/litre(solution)
aer_h2o = mass_h2o / (mm_h2o*vol*m3_litre)
aer_no3 = mol_no3*nmol_mol / (vol*m3_litre)
aer_cl = mol_cl*nmol_mol / (vol*m3_litre)
if(n2o5_flag.eq.1)then ! switch off Cl pathway
aer_cl = 0.0
end if
if(aer_h2o .ne. 0.0)then
part_step = b_bt - b_bt * exp(-d_bt*aer_h2o)
if(aer_no3 .ne. 0.0)then
acc_n2o5_bert_thorn = A_bt * part_step * &
(1.0 - 1.0 / ( &
1.0 + &
(k3_bt*aer_h2o/aer_no3) + &
(k4_bt*aer_cl/aer_no3) &
))
else
acc_n2o5_bert_thorn = A_bt * part_step
endif
else ! if no aerosol water then don't take up N2O5
acc_n2o5_bert_thorn = 0.0
endif
return
end function acc_n2o5_bert_thorn
!-------------------------------------------------------------
!-------------------------------------------------------------
real(kind=8) function split_n2o5_bert_thorn(mass_h2o,mol_cl,vol)
! Hetereogeneous reaction of N2O5 with H2O(l) and Cl-(aq)
! after Bertram and Thornton, ACP, 2009
! Subroutine for splitting reaction pathways
!
! R3f = 1 / (1+(k4'[Cl-])/(k3'[H2O(l)])) (H2O pathway)
! R4f = 1 / (1+(k3'[H2O(l)])/(k4'[Cl-])) (Cl- pathway)
! where:
! R3f = fraction of N2O5 that reacts with H2O
! R4f = fraction of N2O5 that reacts with Cl-
! [H2O(l)] = H2O Molarity
! [Cl-] = Cl- Molarity
! k3' (=k3/k2b) = 6.0e-2
! k4' (=k4/k2b) = 29e0
!
! This function outputs the fraction of N2O5 which reacts
! with H2O
! define parameters for the scheme
real(kind=8), parameter :: k3_bt = 6.0e-2
real(kind=8), parameter :: k4_bt = 29e0
! internal conversion factors
real(kind=8), parameter :: nmol_mol = 1e-9 ! convert nmol->mol
real(kind=8), parameter :: m3_litre = 1e3 ! convert m3->litre
real(kind=8), parameter :: mm_h2o = 18e-3 ! molar mass (kg/mol)
! input variables
real(kind=8) :: mass_h2o ! kg(water)/m^3(air)
real(kind=8) :: mol_cl ! nmol/m^3(air?)
real(kind=8) :: vol ! cc/cc(air) - wet volume
! internal variables
real(kind=8) :: part_step
real(kind=8) :: aer_h2o, aer_cl ! molarity - mol/litre(solution)
! extract and convert aerosol data from inputs to Moles/litre(solution)
aer_h2o = mass_h2o / (mm_h2o*vol*m3_litre)
aer_cl = mol_cl*nmol_mol / (vol*m3_litre)
if(n2o5_flag.eq.1)then ! switch off Cl pathway
aer_cl = 0.0
end if
if(aer_h2o .ne. 0.0)then
split_n2o5_bert_thorn = 1e0 / &
( 1e0 + (k4_bt*aer_cl)/(k3_bt*aer_h2o) )
else
split_n2o5_bert_thorn = 0.0
endif
return
end function split_n2o5_bert_thorn
!-------------------------------------------------------------
!----------------------------------------------------------
! solution to x^3 + px^2 + qx + r = 0
!
real(kind=8) function cubic( p, q, r )
! implicit none
! subr arguments
real(kind=8), intent(in) :: p, q, r
! local variables
real(kind=8) a, b, d, m, n, third, y
real(kind=8) k, phi, thesign, x(3), duma
integer icase, kk
third = 1.d0/3.d0
a = (1.d0/3.d0)*((3.d0*q) - (p*p))
b = (1.d0/27.d0)*((2.d0*p*p*p) - (9.d0*p*q) + (27.d0*r))
d = ( ((a*a*a)/27.d0) + ((b*b)/4.d0) )
if(d .gt. 0.)then ! => 1 real and 2 complex roots
icase = 1
elseif(d .eq. 0.)then ! => 3 real roots, atleast 2 identical
icase = 2
else ! d < 0 => 3 distinct real roots
icase = 3
endif
goto (1,2,3), icase
! case 1: d > 0
1 thesign = 1.
if(b .gt. 0.)then
b = -b
thesign = -1.
endif
m = thesign*((-b/2.d0) + (sqrt(d)))**(third)
n = thesign*((-b/2.d0) - (sqrt(d)))**(third)
cubic = real( (m) + (n) - (p/3.d0) )
return
! case 2: d = 0
2 thesign = 1.
if(b .gt. 0.)then
b = -b
thesign = -1.
endif
m = thesign*(-b/2.d0)**third
n = m
x(1) = real( (m) + (n) - (p/3.d0) )
x(2) = real( (-m/2.d0) + (-n/2.d0) - (p/3.d0) )
x(2) = real( (-m/2.d0) + (-n/2.d0) - (p/3.d0) )
cubic = 0.
do kk = 1, 3
if(x(kk).gt.cubic) cubic = x(kk)
enddo
return
! case 3: d < 0
3 if(b.gt.0.)then
thesign = -1.
elseif(b.lt.0.)then
thesign = 1.
endif
! rce 18-nov-2004 -- make sure that acos argument is between +/-1.0
! phi = acos(thesign*sqrt( (b*b/4.d0)/(-a*a*a/27.d0) )) ! radians
duma = thesign*sqrt( (b*b/4.d0)/(-a*a*a/27.d0) )
duma = min( duma, +1.0D0 )
duma = max( duma, -1.0D0 )
phi = acos( duma ) ! radians
cubic = 0.
do kk = 1, 3
k = kk-1
y = 2.*sqrt(-a/3.)*cos(phi + 120.*k*0.017453293)
x(kk) = real((y) - (p/3.d0))
if(x(kk).gt.cubic) cubic = x(kk)
enddo
return
end function cubic
!----------------------------------------------------------
!----------------------------------------------------------
real(kind=8) function quadratic(a,b,c)
! implicit none
! subr. arguments
real(kind=8) a, b, c
! local variables
real(kind=8) x, dum, quad1, quad2
if(b .ne. 0.0)then
x = 4.*(a/b)*(c/b)
else
x = 1.e+6
endif
if(abs(x) .lt. 1.e-6)then
dum = (0.5*x) + &
(0.125*x**2) + &
(0.0625*x**3)
quadratic = (-0.5*b/a)*dum
if(quadratic .lt. 0.)then
quadratic = -b/a - quadratic
endif
else
quad1 = (-b+sqrt(b*b-4.*a*c))/(2.*a)
quad2 = (-b-sqrt(b*b-4.*a*c))/(2.*a)
quadratic = max(quad1, quad2)
endif
return
end function quadratic
!----------------------------------------------------------
!----------------------------------------------------------
! currently not used
! two roots of a quadratic equation
subroutine quadratix(a,b,c, qx1,qx2)
! implicit none
! subr. arguments
real(kind=8) a, b, c, qx1, qx2
! local variables
real(kind=8) x, dum
if(b .ne. 0.0)then
x = 4.*(a/b)*(c/b)
else
x = 1.e+6
endif
if(abs(x) .lt. 1.e-6)then
dum = (0.5*x) + &
(0.125*x**2) + &
(0.0625*x**3)
qx1 = (-0.5*b/a)*dum
qx2 = -b/a - qx1
else
qx1 = (-b+sqrt(b*b - 4.*a*c))/(2.*a)
qx2 = (-b-sqrt(b*b - 4.*a*c))/(2.*a)
endif
return
end subroutine quadratix
!=====================================================================
!***********************************************************************
! save aerosol drymass and drydens before aerosol mass transfer is
! calculated this subr is called from within subr mosaic_dynamic_solver,
! after the initial calls to check_aerosol_mass, conform_electrolytes,
! conform_aerosol_number, and aerosol_phase_state, but before the mass
! transfer is calculated
!
! author: richard c. easter
!-----------------------------------------------------------------------
subroutine save_pregrow_props
use module_data_mosaic_asect
use module_data_mosaic_other
! implicit none
! include 'v33com'
! include 'v33com9a'
! include 'v33com9b'
! include 'mosaic.h'
! subr arguments (none)
! local variables
integer ibin, isize, itype
! air conc in mol/cm^3
cair_mol_cc = cairclm(kclm_aer)
! compute then save drymass and drydens for each bin
do ibin = 1, nbin_a
call calc_dry_n_wet_aerosol_props( ibin )
call isize_itype_from_ibin( ibin, isize, itype )
drymass_pregrow(isize,itype) = mass_dry_a(ibin)/cair_mol_cc ! g/mol(air)
if(jaerosolstate(ibin) .eq. no_aerosol) then
drydens_pregrow(isize,itype) = -1.
else
drydens_pregrow(isize,itype) = dens_dry_a(ibin) ! g/cc
end if
end do
return
end subroutine save_pregrow_props
!***********************************************************************
! special output
!
! author: richard c. easter
!-----------------------------------------------------------------------
subroutine specialoutaa( iclm, jclm, kclm, msub, fromwhere )
! implicit none
integer iclm, jclm, kclm, msub
character*(*) fromwhere
return
end subroutine specialoutaa
!***********************************************************************
! box model test output
!
! author: richard c. easter
!-----------------------------------------------------------------------
subroutine aerchem_boxtest_output( &
iflag, iclm, jclm, kclm, msub, dtchem )
use module_data_mosaic_asect
use module_data_mosaic_other
! implicit none
! include 'v33com'
! include 'v33com2'
! include 'v33com9a'
integer iflag, iclm, jclm, kclm, msub
real(kind=8) dtchem
! local variables
integer lun
parameter (lun=83)
integer, save :: ientryno = -13579
integer icomp, iphase, isize, itype, k, l, m, n
real(kind=8) dtchem_sv1
save dtchem_sv1
real(kind=8) rsub_sv1(l2maxd,kmaxd,nsubareamaxd)
! bypass unless maerchem_boxtest_output > 0
if (maerchem_boxtest_output .le. 0) return
!
! *** currently this only works for ntype_aer = 1
!
itype = 1
iphase = ai_phase
! do initial output
if (ientryno .ne. -13579) goto 1000
ientryno = +1
call peg_message( lunerr, '***' )
call peg_message( lunerr, '*** doing initial aerchem_boxtest_output' )
call peg_message( lunerr, '***' )
write(lun) ltot, ltot2, itot, jtot, ktot
write(lun) (name(l), l=1,ltot2)
write(lun) maerocoag, maerchem, maeroptical
write(lun) msectional, maerosolincw
write(lun) nsize_aer(itype), ntot_mastercomp_aer
do icomp = 1, ntot_mastercomp_aer
write(lun) &
name_mastercomp_aer(icomp)
write(lun) &
dens_mastercomp_aer(icomp), mw_mastercomp_aer(icomp)
end do
do isize = 1, nsize_aer(itype)
write(lun) &
ncomp_plustracer_aer(itype), &
ncomp_aer(itype), &
waterptr_aer(isize,itype), &
numptr_aer(isize,itype,iphase), &
mprognum_aer(isize,itype,iphase)
write(lun) &
( mastercompptr_aer(l,itype), &
massptr_aer(l,isize,itype,iphase), &
l=1,ncomp_plustracer_aer(itype) )
write(lun) &
volumcen_sect(isize,itype), &
volumlo_sect(isize,itype), &
volumhi_sect(isize,itype), &
dcen_sect(isize,itype), &
dlo_sect(isize,itype), &
dhi_sect(isize,itype)
write(lun) &
lptr_so4_aer(isize,itype,iphase), &
lptr_msa_aer(isize,itype,iphase), &
lptr_no3_aer(isize,itype,iphase), &
lptr_cl_aer(isize,itype,iphase), &
lptr_co3_aer(isize,itype,iphase), &
lptr_nh4_aer(isize,itype,iphase), &
lptr_na_aer(isize,itype,iphase), &
lptr_ca_aer(isize,itype,iphase), &
lptr_oin_aer(isize,itype,iphase), &
lptr_oc_aer(isize,itype,iphase), &
lptr_bc_aer(isize,itype,iphase), &
hyswptr_aer(isize,itype)
end do
!
! test iflag
!
1000 continue
if (iflag .eq. 1) goto 1010
if (iflag .eq. 2) goto 2000
if (iflag .eq. 3) goto 3000
return
!
! iflag=1 -- save initial values
!
1010 continue
dtchem_sv1 = dtchem
do m = 1, nsubareas
do k = 1, ktot
do l = 1, ltot2
rsub_sv1(l,k,m) = rsub(l,k,m)
end do
end do
end do
return
!
! iflag=2 -- save intermediate values before doing move_sections
! (this is deactivated for now)
!
2000 continue
return
!
! iflag=3 -- do output
!
3000 continue
do m = 1, nsubareas
do k = 1, ktot
write(lun) iymdcur, ihmscur, iclm, jclm, k, m, nsubareas
write(lun) t, dtchem_sv1, cairclm(k), relhumclm(k), &
ptotclm(k), afracsubarea(k,m)
write(lun) (rsub_sv1(l,k,m), rsub(l,k,m), l=1,ltot2)
end do
end do
return
end subroutine aerchem_boxtest_output
!***********************************************************************
! 'debugging' output when mosaic encounters 'fatal error' situation
!
! author: richard c. easter
!-----------------------------------------------------------------------
subroutine mosaic_aerchem_error_dump( istop, ibin, luna, msga )
!
! dumps current column information when a fatal computational error occurs
! when istop>0, the simulation is halted
!
use module_data_mosaic_asect
use module_data_mosaic_other
! implicit none
! arguments
integer istop, ibin, luna
character*(*) msga
! local variables
integer icomp, iphase, isize, itype, k, l, lunb, m, n
real(kind=8) dtchem_sv1
!
! *** currently this only works for ntype_aer = 1
!
itype = 1
lunb = luna
if (lunb .le. 0) lunb = 6
9000 format( a )
9010 format( 7i10 )
9020 format( 3(1pe19.11) )
write(lunb,9000)
write(lunb,9000) 'begin mosaic_aerchem_error_dump - msga ='
write(lunb,9000) msga
write(lunb,9000) 'i, j, k, msub,ibin ='
write(lunb,9010) iclm_aer, jclm_aer, kclm_aer, mclm_aer, ibin
write(lunb,9010) ltot, ltot2, itot, jtot, ktot
write(lunb,9000) (name(l), l=1,ltot2)
write(lunb,9010) maerocoag, maerchem, maeroptical
write(lunb,9010) msectional, maerosolincw
write(lunb,9010) nsize_aer(itype), ntot_mastercomp_aer
do icomp = 1, ntot_mastercomp_aer
write(lunb,9000) &
name_mastercomp_aer(icomp)
write(lunb,9020) &
dens_mastercomp_aer(icomp), mw_mastercomp_aer(icomp)
end do
do isize = 1, nsize_aer(itype)
write(lunb,9010) &
ncomp_plustracer_aer(itype), &
ncomp_aer(itype), &
waterptr_aer(isize,itype), &
numptr_aer(isize,itype,iphase), &
mprognum_aer(isize,itype,iphase)
write(lunb,9010) &
( mastercompptr_aer(l,itype), &
massptr_aer(l,isize,itype,iphase), &
l=1,ncomp_plustracer_aer(itype) )
write(lunb,9020) &
volumcen_sect(isize,itype), &
volumlo_sect(isize,itype), &
volumhi_sect(isize,itype), &
dcen_sect(isize,itype), &
dlo_sect(isize,itype), &
dhi_sect(isize,itype)
write(lunb,9010) &
lptr_so4_aer(isize,itype,iphase), &
lptr_msa_aer(isize,itype,iphase), &
lptr_no3_aer(isize,itype,iphase), &
lptr_cl_aer(isize,itype,iphase), &
lptr_co3_aer(isize,itype,iphase), &
lptr_nh4_aer(isize,itype,iphase), &
lptr_na_aer(isize,itype,iphase), &
lptr_ca_aer(isize,itype,iphase), &
lptr_oin_aer(isize,itype,iphase), &
lptr_oc_aer(isize,itype,iphase), &
lptr_bc_aer(isize,itype,iphase), &
hyswptr_aer(isize,itype)
end do
dtchem_sv1 = -1.0
do m = 1, nsubareas
do k = 1, ktot
write(lunb,9010) iymdcur, ihmscur, iclm_aer, jclm_aer, k, m, nsubareas
write(lunb,9020) t, dtchem_sv1, cairclm(k), relhumclm(k), &
ptotclm(k), afracsubarea(k,m)
write(lunb,9020) (rsub(l,k,m), l=1,ltot2)
end do
end do
write(lunb,9000) 'end mosaic_aerchem_error_dump'
if (istop .gt. 0) call peg_error_fatal( luna, msga )
return
end subroutine mosaic_aerchem_error_dump
!-----------------------------------------------------------------------
end module module_mosaic_therm