LCOV - code coverage report
Current view: | top level - chemistry/modal_aero - modal_aero_newnuc.F90 (source / functions) |  |  | Hit | Total | Coverage
Test: | coverage.info |  | Lines: | 305 | 412 | 74.0 %
Date: | 2024-12-17 22:39:59 |  | Functions: | 5 | 6 | 83.3 %

              Line data    Source code
           1             : ! modal_aero_newnuc.F90
           2             :
           3             :
           4             : !----------------------------------------------------------------------
           5             : !BOP
           6             : !
           7             : ! !MODULE: modal_aero_newnuc --- modal aerosol new-particle nucleation
           8             : !
           9             : ! !INTERFACE:
          10             : module modal_aero_newnuc
          11             :
          12             : ! !USES:
          13             :    use shr_kind_mod,  only:  r8 => shr_kind_r8
          14             :    use shr_kind_mod,  only:  r4 => shr_kind_r4
          15             :    use mo_constants,  only:  pi
          16             :    use chem_mods,     only:  gas_pcnst
          17             :
          18             :   implicit none
          19             :   private
          20             :   save
          21             :
          22             : ! !PUBLIC MEMBER FUNCTIONS:
          23             :   public modal_aero_newnuc_sub, modal_aero_newnuc_init
          24             :
          25             : ! !PUBLIC DATA MEMBERS:
          26             :   integer, parameter  :: pcnstxx = gas_pcnst
          27             :   integer  :: l_h2so4_sv, l_nh3_sv, lnumait_sv, lnh4ait_sv, lso4ait_sv
          28             :
          29             : ! min h2so4 vapor for nuc calcs = 4.0e-16 mol/mol-air ~= 1.0e4 molecules/cm3,
          30             :   real(r8), parameter :: qh2so4_cutoff = 4.0e-16_r8
          31             :
          32             :   real(r8) :: dens_so4a_host
          33             :   real(r8) :: mw_nh4a_host, mw_so4a_host
          34             :
          35             : ! !DESCRIPTION: This module implements ...
          36             : !
          37             : ! !REVISION HISTORY:
          38             : !
          39             : !   R.Easter 2007.09.14:  Adapted from MIRAGE2 code
          40             : !
          41             : !EOP
          42             : !----------------------------------------------------------------------
          43             : !BOC
          44             :
          45             : ! list private module data here
          46             :
          47             : !EOC
          48             : !----------------------------------------------------------------------
          49             :
          50             :
          51             :   contains
          52             :
          53             : !----------------------------------------------------------------------
          54             : !----------------------------------------------------------------------
          55             : !BOP
          56             : ! !ROUTINE:  modal_aero_newnuc_sub --- ...
          57             : !
          58             : ! !INTERFACE:
          59     1489176 :    subroutine modal_aero_newnuc_sub(                             &
          60             :                         lchnk,    ncol,     nstep,               &
          61             :                         loffset,  deltat,                        &
          62             :                         t,        pmid,     pdel,                &
          63             :                         zm,       pblh,                          &
          64     1489176 :                         qv,       cld,                           &
          65     1489176 :                         q,                                       &
          66     1489176 :                         del_h2so4_gasprod,  del_h2so4_aeruptk    )
          67             :
          68             :
          69             : ! !USES:
          70             :    use modal_aero_data
          71             :    use cam_abortutils,    only: endrun
          72             :    use cam_history,       only: outfld, fieldname_len
          73             :    use chem_mods,         only: adv_mass
          74             :    use constituents,      only: pcnst, cnst_name
          75             :    use physconst,         only: gravit, mwdry, r_universal
          76             :    use ppgrid,            only: pcols, pver
          77             :    use spmd_utils,        only: iam, masterproc
          78             :    use wv_saturation,     only: qsat
          79             :    use ref_pres,          only: top_lev=>clim_modal_aero_top_lev
          80             :
          81             :    implicit none
          82             :
          83             : ! !PARAMETERS:
          84             :    integer, intent(in)  :: lchnk            ! chunk identifier
          85             :    integer, intent(in)  :: ncol             ! number of columns in chunk
          86             :    integer, intent(in)  :: nstep            ! model step
          87             :    integer, intent(in)  :: loffset          ! offset applied to modal aero "pointers"
          88             :    real(r8), intent(in) :: deltat           ! model timestep (s)
          89             :
          90             :    real(r8), intent(in) :: t(pcols,pver)    ! temperature (K)
          91             :    real(r8), intent(in) :: pmid(pcols,pver) ! pressure at model levels (Pa)
          92             :    real(r8), intent(in) :: pdel(pcols,pver) ! pressure thickness of levels (Pa)
          93             :    real(r8), intent(in) :: zm(pcols,pver)   ! midpoint height above surface (m)
          94             :    real(r8), intent(in) :: pblh(pcols)      ! pbl height (m)
          95             :    real(r8), intent(in) :: qv(pcols,pver)   ! specific humidity (kg/kg)
          96             :    real(r8), intent(in) :: cld(ncol,pver)   ! stratiform cloud fraction
          97             :                                             ! *** NOTE ncol dimension
          98             :    real(r8), intent(inout) :: q(ncol,pver,pcnstxx)
          99             :                                             ! tracer mixing ratio (TMR) array
         100             :                                             ! *** MUST BE mol/mol-air or #/mol-air
         101             :                                             ! *** NOTE ncol & pcnstxx dimensions
         102             :    real(r8), intent(in) :: del_h2so4_gasprod(ncol,pver)
         103             :                                             ! h2so4 gas-phase production
         104             :                                             ! change over deltat (mol/mol)
         105             :    real(r8), intent(in) :: del_h2so4_aeruptk(ncol,pver)
         106             :                                             ! h2so4 gas-phase loss to
         107             :                                             ! aerosol over deltat (mol/mol)
         108             :
         109             : ! !DESCRIPTION:
         110             : !   computes changes due to aerosol nucleation (new particle formation)
         111             : !       treats both nucleation and subsequent growth of new particles
         112             : !           to aitken mode size
         113             : !   uses the following parameterizations
         114             : !       vehkamaki et al. (2002) parameterization for binary
         115             : !           homogeneous nucleation (h2so4-h2o) plus
         116             : !       kerminen and kulmala (2002) parameterization for
         117             : !           new particle loss during growth to aitken size
         118             : !
         119             : ! !REVISION HISTORY:
         120             : !   R.Easter 2007.09.14:  Adapted from MIRAGE2 code and CMAQ V4.6 code
         121             : !
         122             : !EOP
         123             : !----------------------------------------------------------------------
         124             : !BOC
         125             :
         126             : !   local variables
         127             :         integer :: i, itmp, k, l, lmz, lun, m, mait
         128             :         integer :: lnumait, lso4ait, lnh4ait
         129             :         integer :: l_h2so4, l_nh3
         130             :         integer :: ldiagveh02
         131             :         integer, parameter :: ldiag1=-1, ldiag2=-1, ldiag3=-1, ldiag4=-1
         132             :         integer, parameter :: newnuc_method_flagaa = 11
         133             : !       integer, parameter :: newnuc_method_flagaa = 12
         134             :         !  1=merikanto et al (2007) ternary   2=vehkamaki et al (2002) binary
         135             :         ! 11=merikanto ternary + first-order boundary layer
         136             :         ! 12=merikanto ternary + second-order boundary layer
         137             :
         138             :         real(r8) :: adjust_factor
         139             :         real(r8) :: aircon
         140             :         real(r8) :: cldx
         141             :         real(r8) :: dens_nh4so4a
         142             :         real(r8) :: dmdt_ait, dmdt_aitsv1, dmdt_aitsv2, dmdt_aitsv3
         143             :         real(r8) :: dndt_ait, dndt_aitsv1, dndt_aitsv2, dndt_aitsv3
         144             :         real(r8) :: dndt(pcols,pver) ! nucleation rate (#/m3/s)
         145             :         real(r8) :: dnh4dt_ait, dso4dt_ait
         146             :         real(r8) :: dpnuc
         147             :         real(r8) :: dplom_mode(1), dphim_mode(1)
         148             :         real(r8) :: ev_sat(pcols,pver)
         149             :         real(r8) :: mass1p
         150             :         real(r8) :: mass1p_aithi, mass1p_aitlo
         151             :         real(r8) :: pdel_fac
         152             :         real(r8) :: qh2so4_cur, qh2so4_avg, qh2so4_del
         153             :         real(r8) :: qnh3_cur, qnh3_del, qnh4a_del
         154             :         real(r8) :: qnuma_del
         155             :         real(r8) :: qso4a_del
         156             :         real(r8) :: qv_sat(pcols,pver)
         157             :         real(r8) :: qvswtr
         158             :         real(r8) :: relhum, relhumav, relhumnn
         159             :         real(r8) :: tmpa, tmpb, tmpc
         160             :         real(r8) :: tmp_q1, tmp_q2, tmp_q3
         161             :         real(r8) :: tmp_frso4, tmp_uptkrate
         162             :
         163             :         integer, parameter :: nsrflx = 1     ! last dimension of qsrflx
         164             :         real(r8) :: qsrflx(pcols,pcnst,nsrflx)
         165             :                               ! process-specific column tracer tendencies
         166             :                               ! 1 = nucleation (for aerocom)
         167     2978352 :         real(r8) :: dqdt(ncol,pver,pcnstxx)  ! TMR tendency array -- NOTE dims
         168             :         logical  :: dotend(pcnst)            ! flag for doing tendency
         169             :         logical  :: do_nh3                   ! flag for doing nh3/nh4
         170             :
         171             :
         172             :         character(len=1) :: tmpch1, tmpch2, tmpch3
         173             :         character(len=fieldname_len+3) :: fieldname
         174             :
         175             :
         176             : ! begin
         177     1489176 :         lun = 6
         178             :
         179             : !--------------------------------------------------------------------------------
         180             : !!$   if (ldiag1 > 0) then
         181             : !!$   do i = 1, ncol
         182             : !!$   if (lonndx(i) /= 37) cycle
         183             : !!$   if (latndx(i) /= 23) cycle
         184             : !!$   if (nstep > 3)       cycle
         185             : !!$   write( lun, '(/a,i7,3i5,f10.2)' )   &
         186             : !!$         '*** modal_aero_newnuc_sub -- nstep, iam, lat, lon =',   &
         187             : !!$         nstep, iam, latndx(i), lonndx(i)
         188             : !!$   end do
         189             : !!$   if (nstep > 3) call endrun( '*** modal_aero_newnuc_sub -- testing halt after step 3' )
         190             : !!$!  if (ncol /= -999888777) return
         191             : !!$   end if
         192             : !--------------------------------------------------------------------------------
         193             :
         194             : !-----------------------------------------------------------------------
         195     1489176 :         l_h2so4 = l_h2so4_sv - loffset
         196     1489176 :         l_nh3   = l_nh3_sv   - loffset
         197     1489176 :         lnumait = lnumait_sv - loffset
         198     1489176 :         lnh4ait = lnh4ait_sv - loffset
         199     1489176 :         lso4ait = lso4ait_sv - loffset
         200             :
         201             : !   skip if no aitken mode OR if no h2so4 species
         202     1489176 :         if ((l_h2so4 <= 0) .or. (lso4ait <= 0) .or. (lnumait <= 0)) return
         203             :
         204     1489176 :         dotend(:) = .false.
         205 71735685840 :         dqdt(1:ncol,:,:) = 0.0_r8
         206  1022475168 :         qsrflx(1:ncol,:,:) = 0.0_r8
         207  2314006344 :         dndt(1:ncol,:) = 0.0_r8
         208             :
         209             : !   set dotend
         210     1489176 :         mait = modeptr_aitken
         211     1489176 :         dotend(lnumait) = .true.
         212     1489176 :         dotend(lso4ait) = .true.
         213     1489176 :         dotend(l_h2so4) = .true.
         214             :
         215     1489176 :         lnh4ait = lptr_nh4_a_amode(mait) - loffset
         216             :         if ((l_nh3   > 0) .and. (l_nh3   <= pcnst) .and. &
         217     1489176 :             (lnh4ait > 0) .and. (lnh4ait <= pcnst)) then
         218           0 :             do_nh3 = .true.
         219           0 :             dotend(lnh4ait) = .true.
         220           0 :             dotend(l_nh3) = .true.
         221             :         else
         222             :             do_nh3 = .false.
         223             :         end if
         224             :
         225             :
         226             : !   dry-diameter limits for "grown" new particles
         227           0 :         dplom_mode(1) = exp( 0.67_r8*log(dgnumlo_amode(mait))   &
         228     1489176 :                            + 0.33_r8*log(dgnum_amode(mait)) )
         229     1489176 :         dphim_mode(1) = dgnumhi_amode(mait)
         230             :
         231             : !   mass1p_... = mass (kg) of so4 & nh4 in a single particle of diameter ...
         232             : !                (assuming same dry density for so4 & nh4)
         233             : !       mass1p_aitlo - dp = dplom_mode(1)
         234             : !       mass1p_aithi - dp = dphim_mode(1)
         235     1489176 :         tmpa = dens_so4a_host*pi/6.0_r8
         236     1489176 :         mass1p_aitlo = tmpa*(dplom_mode(1)**3)
         237     1489176 :         mass1p_aithi = tmpa*(dphim_mode(1)**3)
         238             :
         239             : !   compute qv_sat = saturation specific humidity
         240   139982544 :         do k = 1, pver
         241   139982544 :            call qsat(t(1:ncol,k), pmid(1:ncol,k), ev_sat(1:ncol,k), qv_sat(1:ncol,k), ncol)
         242             :         end do
         243             : !
         244             : !   loop over levels and columns to calc the renaming
         245             : !
         246   139982544 : main_k: do k = top_lev, pver
         247  2314006344 : main_i: do i = 1, ncol
         248             :
         249             : !   skip if completely cloudy,
         250             : !   because all h2so4 vapor should be cloud-borne
         251  2174023800 :         if (cld(i,k) >= 0.99_r8) cycle main_i
         252             :
         253             : !   qh2so4_cur = current qh2so4, after aeruptk
         254  2045827763 :         qh2so4_cur = q(i,k,l_h2so4)
         255             : !   skip if h2so4 vapor < qh2so4_cutoff
         256  2045827763 :         if (qh2so4_cur <= qh2so4_cutoff) cycle main_i
         257             :
         258  1033492327 :         tmpa = max( 0.0_r8, del_h2so4_gasprod(i,k) )
         259  1033492327 :         tmp_q3 = qh2so4_cur
         260             : !   tmp_q2 = qh2so4 before aeruptk
         261             : !   (note tmp_q3, tmp_q2 both >= 0.0)
         262  1033492327 :         tmp_q2 = tmp_q3 + max( 0.0_r8, -del_h2so4_aeruptk(i,k) )
         263             :
         264             : !   *** temporary -- in order to get more nucleation
         265             : !       qh2so4_cur = qh2so4_cur*1.0e1
         266             : !       tmp_q3 = tmp_q3*1.0e1
         267             : !       tmp_q2 = tmp_q2*1.0e1
         268             : !       tmpa   = tmpa  *1.0e1
         269             :
         270             : !   tmpb = log( tmp_q2/tmp_q3 ) BUT with some checks added
         271             : !       tmp_uptkrate = tmpb/deltat
         272  1033492327 :         if (tmp_q2 <= tmp_q3) then
         273             :            tmpb = 0.0_r8
         274             :         else
         275  1033492327 :            tmpc = tmp_q2 * exp( -20.0_r8 )
         276  1033492327 :            if (tmp_q3 <= tmpc) then
         277             :               tmp_q3 = tmpc
         278             :               tmpb = 20.0_r8
         279             :            else
         280  1033492327 :               tmpb = log( tmp_q2/tmp_q3 )
         281             :            end if
         282             :         end if
         283             : !   d[ln(qh2so4)]/dt (1/s) from uptake (condensation) to aerosol
         284  1033492327 :         tmp_uptkrate = tmpb/deltat
         285             :
         286             : !   qh2so4_avg = estimated average qh2so4
         287             : !   when production & loss are done simultaneously
         288  1033492327 :         if (tmpb <= 0.1_r8) then
         289   120761731 :            qh2so4_avg = tmp_q3*(1.0_r8 + 0.5_r8*tmpb) - 0.5_r8*tmpa
         290             :         else
         291   912730596 :            tmpc = tmpa/tmpb
         292   912730596 :            qh2so4_avg = (tmp_q3 - tmpc)*((exp(tmpb)-1.0_r8)/tmpb) + tmpc
         293             :         end if
         294  1033492327 :         if (qh2so4_avg <= qh2so4_cutoff) cycle main_i
         295             :
         296             :
         297   834837703 :         if ( do_nh3 ) then
         298           0 :             qnh3_cur = max( 0.0_r8, q(i,k,l_nh3) )
         299             :         else
         300   834837703 :             qnh3_cur = 0.0_r8
         301             :         end if
         302             :
         303             :
         304             : !   relhumav = grid average RH
         305   834837703 :         qvswtr = qv_sat(i,k)
         306   834837703 :         qvswtr = max( qvswtr, 1.0e-20_r8 )
         307   834837703 :         relhumav = qv(i,k) / qvswtr
         308   834837703 :         relhumav = max( 0.0_r8, min( 1.0_r8, relhumav ) )
         309             : !   relhum = non-cloudy area RH
         310   834837703 :         cldx = max( 0.0_r8, cld(i,k) )
         311   834837703 :         relhum = (relhumav - cldx) / (1.0_r8 - cldx)
         312   834837703 :         relhum = max( 0.0_r8, min( 1.0_r8, relhum ) )
         313             : !   limit RH to between 0.1% and 99%
         314   834837703 :         relhumnn = relhum
         315   834837703 :         relhumnn = max( 0.01_r8, min( 0.99_r8, relhumnn ) )
         316             :
         317             : !   aircon = air concentration (mol-air/m3)
         318   834837703 :         aircon = 1.0e3_r8*pmid(i,k)/(r_universal*t(i,k))
         319             :
         320             :
         321             : !   call ... routine to get nucleation rates
         322   834837703 :         ldiagveh02 = -1
         323             : !!$     if (ldiag2 > 0) then
         324             : !!$     if ((lonndx(i) == 37) .and. (latndx(i) == 23)) then
         325             : !!$     if ((k >= 24) .or. (mod(k,4) == 0)) then
         326             : !!$         ldiagveh02 = +1
         327             : !!$            write(lun,'(/a,i8,3i4,f8.2,1p,4e10.2)')   &
         328             : !!$             'veh02 call - nstep,lat,lon,k; tk,rh,p,cair',   &
         329             : !!$             nstep, latndx(i), lonndx(i), k,   &
         330             : !!$             t(i,k), relhumnn, pmid(k,k), aircon
         331             : !!$     end if
         332             : !!$     end if
         333             : !!$     end if
         334             :         call mer07_veh02_nuc_mosaic_1box(   &
         335             :            newnuc_method_flagaa,   &
         336             :            deltat, t(i,k), relhumnn, pmid(i,k),   &
         337             :            zm(i,k), pblh(i),   &
         338             :            qh2so4_cur, qh2so4_avg, qnh3_cur, tmp_uptkrate,   &
         339             :            mw_so4a_host,   &
         340             :            1, 1, dplom_mode, dphim_mode,   &
         341             :            itmp, qnuma_del, qso4a_del, qnh4a_del,   &
         342   834837703 :            qh2so4_del, qnh3_del, dens_nh4so4a, ldiagveh02 )
         343             : !          qh2so4_del, qnh3_del, dens_nh4so4a )
         344             : !----------------------------------------------------------------------
         345             : !       subr mer07_veh02_nuc_mosaic_1box(   &
         346             : !          newnuc_method_flagaa,   &
         347             : !          dtnuc, temp_in, rh_in, press_in,   &
         348             : !          qh2so4_cur, qh2so4_avg, qnh3_cur, h2so4_uptkrate,   &
         349             : !          nsize, maxd_asize, dplom_sect, dphim_sect,   &
         350             : !          isize_nuc, qnuma_del, qso4a_del, qnh4a_del,   &
         351             : !          qh2so4_del, qnh3_del, dens_nh4so4a )
         352             : !
         353             : !! subr arguments (in)
         354             : !        real(r8), intent(in) :: dtnuc             ! nucleation time step (s)
         355             : !        real(r8), intent(in) :: temp_in           ! temperature, in k
         356             : !        real(r8), intent(in) :: rh_in             ! relative humidity, as fraction
         357             : !        real(r8), intent(in) :: press_in          ! air pressure (pa)
         358             : !
         359             : !        real(r8), intent(in) :: qh2so4_cur, qh2so4_avg
         360             : !                                                  ! gas h2so4 mixing ratios (mol/mol-air)
         361             : !        real(r8), intent(in) :: qnh3_cur          ! gas nh3 mixing ratios (mol/mol-air)
         362             : !             ! qxxx_cur = current value (after gas chem and condensation)
         363             : !             ! qxxx_avg = estimated average value (for simultaneous source/sink calcs)
         364             : !        real(r8), intent(in) :: h2so4_uptkrate    ! h2so4 uptake rate to aerosol (1/s)
         365             :
         366             : !
         367             : !        integer, intent(in) :: nsize                    ! number of aerosol size bins
         368             : !        integer, intent(in) :: maxd_asize               ! dimension for dplom_sect, ...
         369             : !        real(r8), intent(in) :: dplom_sect(maxd_asize)  ! dry diameter at lower bnd of bin (m)
         370             : !        real(r8), intent(in) :: dphim_sect(maxd_asize)  ! dry diameter at upper bnd of bin (m)
         371             : !
         372             : !! subr arguments (out)
         373             : !        integer, intent(out) :: isize_nuc         ! size bin into which new particles go
         374             : !        real(r8), intent(out) :: qnuma_del        ! change to aerosol number mixing ratio (#/mol-air)
         375             : !        real(r8), intent(out) :: qso4a_del        ! change to aerosol so4 mixing ratio (mol/mol-air)
         376             : !        real(r8), intent(out) :: qnh4a_del        ! change to aerosol nh4 mixing ratio (mol/mol-air)
         377             : !        real(r8), intent(out) :: qh2so4_del       ! change to gas h2so4 mixing ratio (mol/mol-air)
         378             : !        real(r8), intent(out) :: qnh3_del         ! change to gas nh3 mixing ratio (mol/mol-air)
         379             : !                                                  ! aerosol changes are > 0; gas changes are < 0
         380             : !        real(r8), intent(out) :: dens_nh4so4a     ! dry-density of the new nh4-so4 aerosol mass (kg/m3)
         381             : !----------------------------------------------------------------------
         382             :
         383             :
         384             : !   convert qnuma_del from (#/mol-air) to (#/kmol-air)
         385   834837703 :         qnuma_del = qnuma_del*1.0e3_r8
         386             : !   number nuc rate (#/kmol-air/s) from number nuc amt
         387   834837703 :         dndt_ait = qnuma_del/deltat
         388             : !   fraction of mass nuc going to so4
         389   834837703 :         tmpa = qso4a_del*mw_so4a_host
         390   834837703 :         tmpb = tmpa + qnh4a_del*mw_nh4a_host
         391   834837703 :         tmp_frso4 = max( tmpa, 1.0e-35_r8 )/max( tmpb, 1.0e-35_r8 )
         392             : !   mass nuc rate (kg/kmol-air/s or g/mol...) hhfrom mass nuc amts
         393   834837703 :         dmdt_ait = max( 0.0_r8, (tmpb/deltat) )
         394             :
         395   834837703 :         dndt_aitsv1 = dndt_ait
         396   834837703 :         dmdt_aitsv1 = dmdt_ait
         397   834837703 :         dndt_aitsv2 = 0.0_r8
         398   834837703 :         dmdt_aitsv2 = 0.0_r8
         399   834837703 :         dndt_aitsv3 = 0.0_r8
         400   834837703 :         dmdt_aitsv3 = 0.0_r8
         401   834837703 :         tmpch1 = ' '
         402   834837703 :         tmpch2 = ' '
         403             :
         404   834837703 :         if (dndt_ait < 1.0e2_r8) then
         405             : !   ignore newnuc if number rate < 100 #/kmol-air/s ~= 0.3 #/mg-air/d
         406   619405355 :             dndt_ait = 0.0_r8
         407   619405355 :             dmdt_ait = 0.0_r8
         408   619405355 :             tmpch1 = 'A'
         409             :
         410             :         else
         411   215432348 :             dndt_aitsv2 = dndt_ait
         412   215432348 :             dmdt_aitsv2 = dmdt_ait
         413   215432348 :             tmpch1 = 'B'
         414             :
         415             : !   mirage2 code checked for complete h2so4 depletion here,
         416             : !   but this is now done in mer07_veh02_nuc_mosaic_1box
         417   215432348 :             mass1p = dmdt_ait/dndt_ait
         418   215432348 :             dndt_aitsv3 = dndt_ait
         419   215432348 :             dmdt_aitsv3 = dmdt_ait
         420             :
         421             : !   apply particle size constraints
         422   215432348 :             if (mass1p < mass1p_aitlo) then
         423             : !   reduce dndt to increase new particle size
         424           0 :                 dndt_ait = dmdt_ait/mass1p_aitlo
         425           0 :                 tmpch1 = 'C'
         426   215432348 :             else if (mass1p > mass1p_aithi) then
         427             : !   reduce dmdt to decrease new particle size
         428           0 :                 dmdt_ait = dndt_ait*mass1p_aithi
         429           0 :                 tmpch1 = 'E'
         430             :             end if
         431             :         end if
         432             :
         433             : ! *** apply adjustment factor to avoid unrealistically high
         434             : !     aitken number concentrations in mid and upper troposphere
         435             : !       adjust_factor = 0.5
         436             : !       dndt_ait = dndt_ait * adjust_factor
         437             : !       dmdt_ait = dmdt_ait * adjust_factor
         438             :
         439             : !   set tendencies
         440   834837703 :         pdel_fac = pdel(i,k)/gravit
         441             :
         442             : !   dso4dt_ait, dnh4dt_ait are (kmol/kmol-air/s)
         443   834837703 :         dso4dt_ait = dmdt_ait*tmp_frso4/mw_so4a_host
         444   834837703 :         dnh4dt_ait = dmdt_ait*(1.0_r8 - tmp_frso4)/mw_nh4a_host
         445             :
         446   834837703 :         dqdt(i,k,l_h2so4) = -dso4dt_ait*(1.0_r8-cldx)
         447   834837703 :         qsrflx(i,l_h2so4,1) = qsrflx(i,l_h2so4,1) + dqdt(i,k,l_h2so4)*pdel_fac
         448   834837703 :         q(i,k,l_h2so4) = q(i,k,l_h2so4) + dqdt(i,k,l_h2so4)*deltat
         449             :
         450   834837703 :         dqdt(i,k,lso4ait) = dso4dt_ait*(1.0_r8-cldx)
         451   834837703 :         qsrflx(i,lso4ait,1) = qsrflx(i,lso4ait,1) + dqdt(i,k,lso4ait)*pdel_fac
         452   834837703 :         q(i,k,lso4ait) = q(i,k,lso4ait) + dqdt(i,k,lso4ait)*deltat
         453   834837703 :         if (lnumait > 0) then
         454   834837703 :             dqdt(i,k,lnumait) = dndt_ait*(1.0_r8-cldx)
         455             : !   dndt is (#/m3/s), dqdt(:,:,lnumait) is (#/kmol-air/s), aircon is (mol-air/m3)
         456   834837703 :             dndt(i,k) = dqdt(i,k,lnumait)*aircon*1.0e-3_r8
         457             :             qsrflx(i,lnumait,1) = qsrflx(i,lnumait,1)   &
         458   834837703 :                                 + dqdt(i,k,lnumait)*pdel_fac
         459   834837703 :             q(i,k,lnumait) = q(i,k,lnumait) + dqdt(i,k,lnumait)*deltat
         460             :         end if
         461             :
         462   973331071 :         if (( do_nh3 ) .and. (dnh4dt_ait > 0.0_r8)) then
         463           0 :             dqdt(i,k,l_nh3) = -dnh4dt_ait*(1.0_r8-cldx)
         464           0 :             qsrflx(i,l_nh3,1) = qsrflx(i,l_nh3,1) + dqdt(i,k,l_nh3)*pdel_fac
         465           0 :             q(i,k,l_nh3) = q(i,k,l_nh3) + dqdt(i,k,l_nh3)*deltat
         466             :
         467           0 :             dqdt(i,k,lnh4ait) = dnh4dt_ait*(1.0_r8-cldx)
         468           0 :             qsrflx(i,lnh4ait,1) = qsrflx(i,lnh4ait,1) + dqdt(i,k,lnh4ait)*pdel_fac
         469           0 :             q(i,k,lnh4ait) = q(i,k,lnh4ait) + dqdt(i,k,lnh4ait)*deltat
         470             :         end if
         471             :
         472             : !!   temporary diagnostic
         473             : !        if (ldiag3 > 0) then
         474             : !        if ((dndt_ait /= 0.0_r8) .or. (dmdt_ait /= 0.0_r8)) then
         475             : !           write(lun,'(3a,1x,i7,3i5,1p,5e12.4)')   &
         476             : !              'newnucxx', tmpch1, tmpch2, nstep, lchnk, i, k,   &
         477             : !              dndt_ait, dmdt_ait, cldx
         478             : !!          call endrun( 'modal_aero_newnuc_sub' )
         479             : !        end if
         480             : !        end if
         481             :
         482             :
         483             : !   diagnostic output start ----------------------------------------
         484             : !!$     if (ldiag4 > 0) then
         485             : !!$     if ((lonndx(i) == 37) .and. (latndx(i) == 23)) then
         486             : !!$     if ((k >= 24) .or. (mod(k,4) == 0)) then
         487             : !!$        write(lun,97010) nstep, latndx(i), lonndx(i), k, t(i,k), aircon
         488             : !!$        write(lun,97020) 'pmid, pdel                   ',   &
         489             : !!$                pmid(i,k), pdel(i,k)
         490             : !!$        write(lun,97030) 'qv,qvsw, cld, rh_av, rh_clr  ',   &
         491             : !!$                qv(i,k), qvswtr, cldx, relhumav, relhum
         492             : !!$        write(lun,97020) 'h2so4_cur, _pre, _av, nh3_cur',   &
         493             : !!$             qh2so4_cur, tmp_q2, qh2so4_avg, qnh3_cur
         494             : !!$        write(lun,97020) 'del_h2so4_gasprod, _aeruptk  ',   &
         495             : !!$             del_h2so4_gasprod(i,k), del_h2so4_aeruptk(i,k),   &
         496             : !!$             tmp_uptkrate*3600.0_r8
         497             : !!$        write(lun,97020) ' '
         498             : !!$        write(lun,97050) 'tmpch1, tmpch2               ', tmpch1, tmpch2
         499             : !!$        write(lun,97020) 'dndt_, dmdt_aitsv1           ',   &
         500             : !!$                              dndt_aitsv1, dmdt_aitsv1
         501             : !!$        write(lun,97020) 'dndt_, dmdt_aitsv2           ',   &
         502             : !!$                              dndt_aitsv2, dmdt_aitsv2
         503             : !!$        write(lun,97020) 'dndt_, dmdt_aitsv3           ',   &
         504             : !!$                              dndt_aitsv3, dmdt_aitsv3
         505             : !!$        write(lun,97020) 'dndt_, dmdt_ait              ',   &
         506             : !!$                              dndt_ait, dmdt_ait
         507             : !!$        write(lun,97020) 'dso4dt_, dnh4dt_ait          ',   &
         508             : !!$                              dso4dt_ait, dnh4dt_ait
         509             : !!$        write(lun,97020) 'qso4a_del, qh2so4_del        ',   &
         510             : !!$                              qso4a_del, qh2so4_del
         511             : !!$        write(lun,97020) 'qnh4a_del, qnh3_del          ',   &
         512             : !!$                              qnh4a_del, qnh3_del
         513             : !!$        write(lun,97020) 'dqdt(h2so4), (nh3)           ',   &
         514             : !!$              dqdt(i,k,l_h2so4), dqdt(i,k,l_nh3)
         515             : !!$        write(lun,97020) 'dqdt(so4a), (nh4a), (numa)   ',   &
         516             : !!$              dqdt(i,k,lso4ait), dqdt(i,k,lnh4ait), dqdt(i,k,lnumait)
         517             : !!$
         518             : !!$     dpnuc = 0.0_r8
         519             : !!$     if (dndt_aitsv1 > 1.0e-5_r8) dpnuc = (6.0_r8*dmdt_aitsv1/   &
         520             : !!$                     (pi*dens_so4a_host*dndt_aitsv1))**0.3333333_r8
         521             : !!$        if (dpnuc > 0.0_r8) then
         522             : !!$        write(lun,97020) 'dpnuc,      dp_aitlo, _aithi ',   &
         523             : !!$                      dpnuc, dplom_mode(1), dphim_mode(1)
         524             : !!$        write(lun,97020) 'mass1p, mass1p_aitlo, _aithi ',   &
         525             : !!$                      mass1p, mass1p_aitlo, mass1p_aithi
         526             : !!$        end if
         527             : !!$
         528             : !!$ 97010  format( / 'NEWNUC nstep,lat,lon,k,tk,cair', i8, 3i4, f8.2, 1pe12.4 )
         529             : !!$ 97020  format( a, 1p, 6e12.4 )
         530             : !!$ 97030  format( a, 1p, 2e12.4, 0p, 5f10.6 )
         531             : !!$ 97040  format( 29x, 1p, 6e12.4 )
         532             : !!$ 97050  format( a, 2(3x,a) )
         533             : !!$        end if
         534             : !!$        end if
         535             : !!$        end if
         536             : !   diagnostic output end   ------------------------------------------
         537             :
         538             :
         539             :         end do main_i
         540             :         end do main_k
         541             :
         542             :
         543             : !   do history file column-tendency fields
         544    46164456 :         do l = loffset+1, pcnst
         545    44675280 :             lmz = l - loffset
         546    44675280 :             if ( .not. dotend(lmz) ) cycle
         547             :
         548    74597328 :             do i = 1, ncol
         549    74597328 :                 qsrflx(i,lmz,1) = qsrflx(i,lmz,1)*(adv_mass(lmz)/mwdry)
         550             :             end do
         551     4467528 :             fieldname = trim(cnst_name(l)) // '_sfnnuc1'
         552    46164456 :             call outfld( fieldname, qsrflx(:,lmz,1), pcols, lchnk )
         553             :
         554             : !           if (( masterproc ) .and. (nstep < 1)) &
         555             : !               write(lun,'(2(a,2x),1p,e11.3)') &
         556             : !               'modal_aero_newnuc_sub outfld', fieldname, adv_mass(lmz)
         557             :         end do ! l = ...
         558             :
         559             :
         560             :         return
         561             : !EOC
         562     1489176 :         end subroutine modal_aero_newnuc_sub
         563             :
         564             :
         565             :
         566             : !----------------------------------------------------------------------
         567             : !-----------------------------------------------------------------------
         568   834837703 :         subroutine mer07_veh02_nuc_mosaic_1box(   &
         569             :            newnuc_method_flagaa, dtnuc, temp_in, rh_in, press_in,   &
         570             :            zm_in, pblh_in,   &
         571             :            qh2so4_cur, qh2so4_avg, qnh3_cur, h2so4_uptkrate,   &
         572             :            mw_so4a_host,   &
         573   834837703 :            nsize, maxd_asize, dplom_sect, dphim_sect,   &
         574             :            isize_nuc, qnuma_del, qso4a_del, qnh4a_del,   &
         575             :            qh2so4_del, qnh3_del, dens_nh4so4a, ldiagaa )
         576             : !          qh2so4_del, qnh3_del, dens_nh4so4a )
         577     1489176 :           use mo_constants, only: rgas, &               ! Gas constant (J/K/kmol)
         578             :                                   avogad => avogadro    ! Avogadro's number (1/kmol)
         579             :           use physconst,    only: mw_so4a => mwso4, &   ! Molecular weight of sulfate
         580             :                                   mw_nh4a => mwnh4      ! Molecular weight of ammonium
         581             : !.......................................................................
         582             : !
         583             : ! calculates new particle production from homogeneous nucleation
         584             : !    over timestep dtnuc, using nucleation rates from either
         585             : !    merikanto et al. (2007) h2so4-nh3-h2o ternary parameterization
         586             : !    vehkamaki et al. (2002) h2so4-h2o binary parameterization
         587             : !
         588             : ! the new particles are "grown" to the lower-bound size of the host code's
         589             : !    smallest size bin.  (this "growth" is somewhat ad hoc, and would not be
         590             : !    necessary if the host code's size bins extend down to ~1 nm.)
         591             : !
         592             : !    if the h2so4 and nh3 mass mixing ratios (mixrats) of the grown new
         593             : !    particles exceed the current gas mixrats, the new particle production
         594             : !    is reduced so that the new particle mass mixrats match the gas mixrats.
         595             : !
         596             : !    the correction of kerminen and kulmala (2002) is applied to account
         597             : !    for loss of the new particles by coagulation as they are
         598             : !    growing to the "host code mininum size"
         599             : !
         600             : ! revision history
         601             : !    coded by rc easter, pnnl, xx-apr-2007
         602             : !
         603             : ! key routines called: subr ternary_nuc_napari
         604             : !
         605             : ! references:
         606             : !    merikanto, j., i. napari, h. vehkamaki, t. anttila,
         607             : !     and m. kulmala, 2007, new parameterization of
         608             : !     sulfuric acid-ammonia-water ternary nucleation
         609             : !     rates at tropospheric conditions,
         610             : !       j. geophys. res., 112, d15207, doi:10.1029/2006jd0027977
         611             : !
         612             : !    vehkamäki, h., m. kulmala, i. napari, k.e.j. lehtinen,
         613             : !       c. timmreck, m. noppel and a. laaksonen, 2002,
         614             : !       an improved parameterization for sulfuric acid-water nucleation
         615             : !       rates for tropospheric and stratospheric conditions,
         616             : !       j. geophys. res., 107, 4622, doi:10.1029/2002jd002184
         617             : !
         618             : !    kerminen, v., and m. kulmala, 2002,
         619             : !       analytical formulae connecting the "real" and the "apparent"
         620             : !       nucleation rate and the nuclei number concentration
         621             : !       for atmospheric nucleation events
         622             : !
         623             : !.......................................................................
         624             :       implicit none
         625             :
         626             : ! subr arguments (in)
         627             :         real(r8), intent(in) :: dtnuc             ! nucleation time step (s)
         628             :         real(r8), intent(in) :: temp_in           ! temperature, in k
         629             :         real(r8), intent(in) :: rh_in             ! relative humidity, as fraction
         630             :         real(r8), intent(in) :: press_in          ! air pressure (pa)
         631             :         real(r8), intent(in) :: zm_in             ! layer midpoint height (m)
         632             :         real(r8), intent(in) :: pblh_in           ! pbl height (m)
         633             :
         634             :         real(r8), intent(in) :: qh2so4_cur, qh2so4_avg
         635             :                                                   ! gas h2so4 mixing ratios (mol/mol-air)
         636             :         real(r8), intent(in) :: qnh3_cur          ! gas nh3 mixing ratios (mol/mol-air)
         637             :              ! qxxx_cur = current value (after gas chem and condensation)
         638             :              ! qxxx_avg = estimated average value (for simultaneous source/sink calcs)
         639             :         real(r8), intent(in) :: h2so4_uptkrate    ! h2so4 uptake rate to aerosol (1/s)
         640             :         real(r8), intent(in) :: mw_so4a_host      ! mw of so4 aerosol in host code (g/mol)
         641             :
         642             :         integer, intent(in) :: newnuc_method_flagaa     ! 1=merikanto et al (2007) ternary
         643             :                                                         ! 2=vehkamaki et al (2002) binary
         644             :         integer, intent(in) :: nsize                    ! number of aerosol size bins
         645             :         integer, intent(in) :: maxd_asize               ! dimension for dplom_sect, ...
         646             :         real(r8), intent(in) :: dplom_sect(maxd_asize)  ! dry diameter at lower bnd of bin (m)
         647             :         real(r8), intent(in) :: dphim_sect(maxd_asize)  ! dry diameter at upper bnd of bin (m)
         648             :         integer, intent(in) :: ldiagaa
         649             :
         650             : ! subr arguments (out)
         651             :         integer, intent(out) :: isize_nuc         ! size bin into which new particles go
         652             :         real(r8), intent(out) :: qnuma_del        ! change to aerosol number mixing ratio (#/mol-air)
         653             :         real(r8), intent(out) :: qso4a_del        ! change to aerosol so4 mixing ratio (mol/mol-air)
         654             :         real(r8), intent(out) :: qnh4a_del        ! change to aerosol nh4 mixing ratio (mol/mol-air)
         655             :         real(r8), intent(out) :: qh2so4_del       ! change to gas h2so4 mixing ratio (mol/mol-air)
         656             :         real(r8), intent(out) :: qnh3_del         ! change to gas nh3 mixing ratio (mol/mol-air)
         657             :                                                   ! aerosol changes are > 0; gas changes are < 0
         658             :         real(r8), intent(out) :: dens_nh4so4a     ! dry-density of the new nh4-so4 aerosol mass (kg/m3)
         659             :
         660             : ! subr arguments (out) passed via common block
         661             : !    these are used to duplicate the outputs of yang zhang's original test driver
         662             : !    they are not really needed in wrf-chem
         663             :         real(r8) :: ratenuclt        ! j = ternary nucleation rate from napari param. (cm-3 s-1)
         664             :         real(r8) :: rateloge         ! ln (j)
         665             :         real(r8) :: cnum_h2so4       ! number of h2so4 molecules in the critical nucleus
         666             :         real(r8) :: cnum_nh3         ! number of nh3   molecules in the critical nucleus
         667             :         real(r8) :: cnum_tot         ! total number of molecules in the critical nucleus
         668             :         real(r8) :: radius_cluster   ! the radius of cluster (nm)
         669             :
         670             :
         671             : ! local variables
         672             :         integer :: i
         673             :         integer :: igrow
         674             :         integer, save :: icase = 0, icase_reldiffmax = 0
         675             : !       integer, parameter :: ldiagaa = -1
         676             :         integer :: lun
         677             :         integer :: newnuc_method_flagaa2
         678             :
         679             :         real(r8), parameter :: onethird = 1.0_r8/3.0_r8
         680             :
         681             :         real(r8), parameter :: accom_coef_h2so4 = 0.65_r8   ! accomodation coef for h2so4 conden
         682             :
         683             : ! dry densities (kg/m3) molecular weights of aerosol
         684             : ! ammsulf, ammbisulf, and sulfacid (from mosaic  dens_electrolyte values)
         685             : !       real(r8), parameter :: dens_ammsulf   = 1.769e3
         686             : !       real(r8), parameter :: dens_ammbisulf = 1.78e3
         687             : !       real(r8), parameter :: dens_sulfacid  = 1.841e3
         688             : ! use following to match cam3 modal_aero densities
         689             :         real(r8), parameter :: dens_ammsulf   = 1.770e3_r8
         690             :         real(r8), parameter :: dens_ammbisulf = 1.770e3_r8
         691             :         real(r8), parameter :: dens_sulfacid  = 1.770e3_r8
         692             :
         693             : ! molecular weights (g/mol) of aerosol ammsulf, ammbisulf, and sulfacid
         694             : !    for ammbisulf and sulfacid, use 114 & 96 here rather than 115 & 98
         695             : !    because we don't keep track of aerosol hion mass
         696             :         real(r8), parameter :: mw_ammsulf   = 132.0_r8
         697             :         real(r8), parameter :: mw_ammbisulf = 114.0_r8
         698             :         real(r8), parameter :: mw_sulfacid  =  96.0_r8
         699             :
         700             :         real(r8), save :: reldiffmax = 0.0_r8
         701             :
         702             :         real(r8) cair                     ! dry-air molar density (mol/m3)
         703             :         real(r8) cs_prime_kk              ! kk2002 "cs_prime" parameter (1/m2)
         704             :         real(r8) cs_kk                    ! kk2002 "cs" parameter (1/s)
         705             :         real(r8) dens_part                ! "grown" single-particle dry density (kg/m3)
         706             :         real(r8) dfin_kk, dnuc_kk         ! kk2002 final/initial new particle wet diameter (nm)
         707             :         real(r8) dpdry_clus               ! critical cluster diameter (m)
         708             :         real(r8) dpdry_part               ! "grown" single-particle dry diameter (m)
         709             :         real(r8) tmpa, tmpb, tmpc, tmpe, tmpq
         710             :         real(r8) tmpa1, tmpb1
         711             :         real(r8) tmp_m1, tmp_m2, tmp_m3, tmp_n1, tmp_n2, tmp_n3
         712             :         real(r8) tmp_spd                  ! h2so4 vapor molecular speed (m/s)
         713             :         real(r8) factor_kk
         714             :         real(r8) fogas, foso4a, fonh4a, fonuma
         715             :         real(r8) freduce                  ! reduction factor applied to nucleation rate
         716             :                                           ! due to limited availability of h2so4 & nh3 gases
         717             :         real(r8) freducea, freduceb
         718             :         real(r8) gamma_kk                 ! kk2002 "gamma" parameter (nm2*m2/h)
         719             :         real(r8) gr_kk                    ! kk2002 "gr" parameter (nm/h)
         720             :         real(r8) kgaero_per_moleso4a      ! (kg dry aerosol)/(mol aerosol so4)
         721             :         real(r8) mass_part                ! "grown" single-particle dry mass (kg)
         722             :         real(r8) molenh4a_per_moleso4a    ! (mol aerosol nh4)/(mol aerosol so4)
         723             :         real(r8) nh3ppt, nh3ppt_bb        ! actual and bounded nh3 (ppt)
         724             :         real(r8) nu_kk                    ! kk2002 "nu" parameter (nm)
         725             :         real(r8) qmolnh4a_del_max         ! max production of aerosol nh4 over dtnuc (mol/mol-air)
         726             :         real(r8) qmolso4a_del_max         ! max production of aerosol so4 over dtnuc (mol/mol-air)
         727             :         real(r8) ratenuclt_bb             ! nucleation rate (#/m3/s)
         728             :         real(r8) ratenuclt_kk             ! nucleation rate after kk2002 adjustment (#/m3/s)
         729             :         real(r8) rh_bb                    ! bounded value of rh_in
         730             :         real(r8) so4vol_in                ! concentration of h2so4 for nucl. calc., molecules cm-3
         731             :         real(r8) so4vol_bb                ! bounded value of so4vol_in
         732             :         real(r8) temp_bb                  ! bounded value of temp_in
         733             :         real(r8) voldry_clus              ! critical-cluster dry volume (m3)
         734             :         real(r8) voldry_part              ! "grown" single-particle dry volume (m3)
         735             :         real(r8) wetvol_dryvol            ! grown particle (wet-volume)/(dry-volume)
         736             :         real(r8) wet_volfrac_so4a         ! grown particle (dry-volume-from-so4)/(wet-volume)
         737             :
         738             :
         739             :
         740             : !
         741             : ! if h2so4 vapor < qh2so4_cutoff
         742             : ! exit with new particle formation = 0
         743             : !
         744   834837703 :         isize_nuc = 1
         745   834837703 :         qnuma_del = 0.0_r8
         746   834837703 :         qso4a_del = 0.0_r8
         747   834837703 :         qnh4a_del = 0.0_r8
         748   834837703 :         qh2so4_del = 0.0_r8
         749   834837703 :         qnh3_del = 0.0_r8
         750             : !       if (qh2so4_avg .le. qh2so4_cutoff) return   ! this no longer needed
         751             : !       if (qh2so4_cur .le. qh2so4_cutoff) return   ! this no longer needed
         752             :
         753             :         if ((newnuc_method_flagaa /=  1) .and. &
         754             :             (newnuc_method_flagaa /=  2) .and. &
         755   834837703 :             (newnuc_method_flagaa /= 11) .and. &
         756             :             (newnuc_method_flagaa /= 12)) return
         757             :
         758             :
         759             : !
         760             : ! make call to parameterization routine
         761             : !
         762             :
         763             : ! calc h2so4 in molecules/cm3 and nh3 in ppt
         764   834837703 :         cair = press_in/(temp_in*rgas)
         765   834837703 :         so4vol_in  = qh2so4_avg * cair * avogad * 1.0e-6_r8
         766   834837703 :         nh3ppt    = qnh3_cur * 1.0e12_r8
         767   834837703 :         ratenuclt = 1.0e-38_r8
         768   834837703 :         rateloge = log( ratenuclt )
         769             :
         770   834837703 :         if ( (newnuc_method_flagaa /=  2) .and. &
         771             :              (nh3ppt >= 0.1_r8) ) then
         772             : ! make call to merikanto ternary parameterization routine
         773             : ! (when nh3ppt < 0.1, use binary param instead)
         774             :
         775           0 :             if (so4vol_in >= 5.0e4_r8) then
         776           0 :                temp_bb = max( 235.0_r8, min( 295.0_r8, temp_in ) )
         777           0 :                rh_bb = max( 0.05_r8, min( 0.95_r8, rh_in ) )
         778           0 :                so4vol_bb = max( 5.0e4_r8, min( 1.0e9_r8, so4vol_in ) )
         779           0 :                nh3ppt_bb = max( 0.1_r8, min( 1.0e3_r8, nh3ppt ) )
         780             :                call ternary_nuc_merik2007(   &
         781             :                   temp_bb, rh_bb, so4vol_bb, nh3ppt_bb,   &
         782             :                   rateloge,   &
         783           0 :                   cnum_tot, cnum_h2so4, cnum_nh3, radius_cluster )
         784             :             end if
         785           0 :             newnuc_method_flagaa2 = 1
         786             :
         787             :         else
         788             : ! make call to vehkamaki binary parameterization routine
         789             :
         790   834837703 :             if (so4vol_in >= 1.0e4_r8) then
         791   739780990 :                temp_bb = max( 230.15_r8, min( 305.15_r8, temp_in ) )
         792   739780990 :                rh_bb = max( 1.0e-4_r8, min( 1.0_r8, rh_in ) )
         793   739780990 :                so4vol_bb = max( 1.0e4_r8, min( 1.0e11_r8, so4vol_in ) )
         794             :                call binary_nuc_vehk2002(   &
         795             :                   temp_bb, rh_bb, so4vol_bb,   &
         796             :                   ratenuclt, rateloge,   &
         797   739780990 :                   cnum_h2so4, cnum_tot, radius_cluster )
         798             :             end if
         799   834837703 :             cnum_nh3 = 0.0_r8
         800   834837703 :             newnuc_method_flagaa2 = 2
         801             :
         802             :         end if
         803             :
         804             :
         805             : ! do boundary layer nuc
         806   834837703 :         if ((newnuc_method_flagaa == 11) .or.   &
         807             :             (newnuc_method_flagaa == 12)) then
         808   834837703 :            if ( zm_in <= max(pblh_in,100.0_r8) ) then
         809    22327328 :               so4vol_bb = so4vol_in
         810             :               call pbl_nuc_wang2008( so4vol_bb,   &
         811             :                  newnuc_method_flagaa, newnuc_method_flagaa2,   &
         812             :                  ratenuclt, rateloge,   &
         813    22327328 :                  cnum_tot, cnum_h2so4, cnum_nh3, radius_cluster )
         814             :            end if
         815             :         end if
         816             :
         817             :
         818             : ! if nucleation rate is less than 1e-6 #/m3/s ~= 0.1 #/cm3/day,
         819             : ! exit with new particle formation = 0
         820   834837703 :         if (rateloge  .le. -13.82_r8) return
         821             : !       if (ratenuclt .le. 1.0e-6) return
         822   278834791 :         ratenuclt = exp( rateloge )
         823   278834791 :         ratenuclt_bb = ratenuclt*1.0e6_r8
         824             :
         825             :
         826             : ! wet/dry volume ratio - use simple kohler approx for ammsulf/ammbisulf
         827   278834791 :         tmpa = max( 0.10_r8, min( 0.95_r8, rh_in ) )
         828   278834791 :         wetvol_dryvol = 1.0_r8 - 0.56_r8/log(tmpa)
         829             :
         830             :
         831             : ! determine size bin into which the new particles go
         832             : ! (probably it will always be bin #1, but ...)
         833             :         voldry_clus = ( max(cnum_h2so4,1.0_r8)*mw_so4a + cnum_nh3*mw_nh4a ) /   &
         834   278834791 :                       (1.0e3_r8*dens_sulfacid*avogad)
         835             : ! correction when host code sulfate is really ammonium bisulfate/sulfate
         836   278834791 :         voldry_clus = voldry_clus * (mw_so4a_host/mw_so4a)
         837   278834791 :         dpdry_clus = (voldry_clus*6.0_r8/pi)**onethird
         838             :
         839   278834791 :         isize_nuc = 1
         840   278834791 :         dpdry_part = dplom_sect(1)
         841   278834791 :         if (dpdry_clus <= dplom_sect(1)) then
         842             :            igrow = 1   ! need to clusters to larger size
         843           0 :         else if (dpdry_clus >= dphim_sect(nsize)) then
         844           0 :            igrow = 0
         845           0 :            isize_nuc = nsize
         846             :            dpdry_part = dphim_sect(nsize)
         847             :         else
         848           0 :            igrow = 0
         849           0 :            do i = 1, nsize
         850           0 :               if (dpdry_clus < dphim_sect(i)) then
         851           0 :                  isize_nuc = i
         852           0 :                  dpdry_part = dpdry_clus
         853           0 :                  dpdry_part = min( dpdry_part, dphim_sect(i) )
         854           0 :                  dpdry_part = max( dpdry_part, dplom_sect(i) )
         855           0 :                  exit
         856             :               end if
         857             :            end do
         858             :         end if
         859   278834791 :         voldry_part = (pi/6.0_r8)*(dpdry_part**3)
         860             :
         861             :
         862             : !
         863             : ! determine composition and density of the "grown particles"
         864             : ! the grown particles are assumed to be liquid
         865             : !    (since critical clusters contain water)
         866             : !    so any (nh4/so4) molar ratio between 0 and 2 is allowed
         867             : ! assume that the grown particles will have
         868             : !    (nh4/so4 molar ratio) = min( 2, (nh3/h2so4 gas molar ratio) )
         869             : !
         870   278834791 :         if (igrow .le. 0) then
         871             : ! no "growing" so pure sulfuric acid
         872             :            tmp_n1 = 0.0_r8
         873             :            tmp_n2 = 0.0_r8
         874             :            tmp_n3 = 1.0_r8
         875   278834791 :         else if (qnh3_cur .ge. qh2so4_cur) then
         876             : ! combination of ammonium sulfate and ammonium bisulfate
         877             : ! tmp_n1 & tmp_n2 = mole fractions of the ammsulf & ammbisulf
         878           0 :            tmp_n1 = (qnh3_cur/qh2so4_cur) - 1.0_r8
         879           0 :            tmp_n1 = max( 0.0_r8, min( 1.0_r8, tmp_n1 ) )
         880           0 :            tmp_n2 = 1.0_r8 - tmp_n1
         881           0 :            tmp_n3 = 0.0_r8
         882             :         else
         883             : ! combination of ammonium bisulfate and sulfuric acid
         884             : ! tmp_n2 & tmp_n3 = mole fractions of the ammbisulf & sulfacid
         885   278834791 :            tmp_n1 = 0.0_r8
         886   278834791 :            tmp_n2 = (qnh3_cur/qh2so4_cur)
         887   278834791 :            tmp_n2 = max( 0.0_r8, min( 1.0_r8, tmp_n2 ) )
         888   278834791 :            tmp_n3 = 1.0_r8 - tmp_n2
         889             :         end if
         890             :
         891   278834791 :         tmp_m1 = tmp_n1*mw_ammsulf
         892   278834791 :         tmp_m2 = tmp_n2*mw_ammbisulf
         893   278834791 :         tmp_m3 = tmp_n3*mw_sulfacid
         894             :         dens_part = (tmp_m1 + tmp_m2 + tmp_m3)/   &
         895             :            ((tmp_m1/dens_ammsulf) + (tmp_m2/dens_ammbisulf)   &
         896   278834791 :                                   + (tmp_m3/dens_sulfacid))
         897   278834791 :         dens_nh4so4a = dens_part
         898   278834791 :         mass_part  = voldry_part*dens_part
         899             : ! (mol aerosol nh4)/(mol aerosol so4)
         900   278834791 :         molenh4a_per_moleso4a = 2.0_r8*tmp_n1 + tmp_n2
         901             : ! (kg dry aerosol)/(mol aerosol so4)
         902   278834791 :         kgaero_per_moleso4a = 1.0e-3_r8*(tmp_m1 + tmp_m2 + tmp_m3)
         903             : ! correction when host code sulfate is really ammonium bisulfate/sulfate
         904   278834791 :         kgaero_per_moleso4a = kgaero_per_moleso4a * (mw_so4a_host/mw_so4a)
         905             :
         906             : ! fraction of wet volume due to so4a
         907   278834791 :         tmpb = 1.0_r8 + molenh4a_per_moleso4a*17.0_r8/98.0_r8
         908   278834791 :         wet_volfrac_so4a = 1.0_r8 / ( wetvol_dryvol * tmpb )
         909             :
         910             :
         911             : !
         912             : ! calc kerminen & kulmala (2002) correction
         913             : !
         914   278834791 :         if (igrow <=  0) then
         915           0 :             factor_kk = 1.0_r8
         916             :
         917             :         else
         918             : ! "gr" parameter (nm/h) = condensation growth rate of new particles
         919             : ! use kk2002 eqn 21 for h2so4 uptake, and correct for nh3 & h2o uptake
         920   278834791 :             tmp_spd = 14.7_r8*sqrt(temp_in)   ! h2so4 molecular speed (m/s)
         921             :             gr_kk = 3.0e-9_r8*tmp_spd*mw_sulfacid*so4vol_in/   &
         922   278834791 :                     (dens_part*wet_volfrac_so4a)
         923             :
         924             : ! "gamma" parameter (nm2/m2/h)
         925             : ! use kk2002 eqn 22
         926             : !
         927             : ! dfin_kk = wet diam (nm) of grown particle having dry dia = dpdry_part (m)
         928   278834791 :             dfin_kk = 1.0e9_r8 * dpdry_part * (wetvol_dryvol**onethird)
         929             : ! dnuc_kk = wet diam (nm) of cluster
         930   278834791 :             dnuc_kk = 2.0_r8*radius_cluster
         931   278834791 :             dnuc_kk = max( dnuc_kk, 1.0_r8 )
         932             : ! neglect (dmean/150)**0.048 factor,
         933             : ! which should be very close to 1.0 because of small exponent
         934             :             gamma_kk = 0.23_r8 * (dnuc_kk)**0.2_r8   &
         935             :                      * (dfin_kk/3.0_r8)**0.075_r8   &
         936             :                      * (dens_part*1.0e-3_r8)**(-0.33_r8)   &
         937   278834791 :                      * (temp_in/293.0_r8)**(-0.75_r8)
         938             :
         939             : ! "cs_prime parameter" (1/m2)
         940             : ! instead kk2002 eqn 3, use
         941             : !     cs_prime ~= tmpa / (4*pi*tmpb * h2so4_accom_coef)
         942             : ! where
         943             : !     tmpa = -d(ln(h2so4))/dt by conden to particles   (1/h units)
         944             : !     tmpb = h2so4 vapor diffusivity (m2/h units)
         945             : ! this approx is generally within a few percent of the cs_prime
         946             : !     calculated directly from eqn 2,
         947             : !     which is acceptable, given overall uncertainties
         948             : ! tmpa = -d(ln(h2so4))/dt by conden to particles   (1/h units)
         949   278834791 :             tmpa = h2so4_uptkrate * 3600.0_r8
         950   278834791 :             tmpa1 = tmpa
         951   278834791 :             tmpa = max( tmpa, 0.0_r8 )
         952             : ! tmpb = h2so4 gas diffusivity (m2/s, then m2/h)
         953   278834791 :             tmpb = 6.7037e-6_r8 * (temp_in**0.75_r8) / cair
         954   278834791 :             tmpb1 = tmpb         ! m2/s
         955   278834791 :             tmpb = tmpb*3600.0_r8   ! m2/h
         956   278834791 :             cs_prime_kk = tmpa/(4.0_r8*pi*tmpb*accom_coef_h2so4)
         957   278834791 :             cs_kk = cs_prime_kk*4.0_r8*pi*tmpb1
         958             :
         959             : ! "nu" parameter (nm) -- kk2002 eqn 11
         960   278834791 :             nu_kk = gamma_kk*cs_prime_kk/gr_kk
         961             : ! nucleation rate adjustment factor (--) -- kk2002 eqn 13
         962   278834791 :             factor_kk = exp( (nu_kk/dfin_kk) - (nu_kk/dnuc_kk) )
         963             :
         964             :         end if
         965   278834791 :         ratenuclt_kk = ratenuclt_bb*factor_kk
         966             :
         967             :
         968             : ! max production of aerosol dry mass (kg-aero/m3-air)
         969   278834791 :         tmpa = max( 0.0_r8, (ratenuclt_kk*dtnuc*mass_part) )
         970             : ! max production of aerosol so4 (mol-so4a/mol-air)
         971   278834791 :         tmpe = tmpa/(kgaero_per_moleso4a*cair)
         972             : ! max production of aerosol so4 (mol/mol-air)
         973             : ! based on ratenuclt_kk and mass_part
         974   278834791 :         qmolso4a_del_max = tmpe
         975             :
         976             : ! check if max production exceeds available h2so4 vapor
         977   278834791 :         freducea = 1.0_r8
         978   278834791 :         if (qmolso4a_del_max .gt. qh2so4_cur) then
         979     7300673 :            freducea = qh2so4_cur/qmolso4a_del_max
         980             :         end if
         981             :
         982             : ! check if max production exceeds available nh3 vapor
         983   278834791 :         freduceb = 1.0_r8
         984   278834791 :         if (molenh4a_per_moleso4a .ge. 1.0e-10_r8) then
         985             : ! max production of aerosol nh4 (ppm) based on ratenuclt_kk and mass_part
         986           0 :            qmolnh4a_del_max = qmolso4a_del_max*molenh4a_per_moleso4a
         987           0 :            if (qmolnh4a_del_max .gt. qnh3_cur) then
         988           0 :               freduceb = qnh3_cur/qmolnh4a_del_max
         989             :            end if
         990             :         end if
         991   278834791 :         freduce = min( freducea, freduceb )
         992             :
         993             : ! if adjusted nucleation rate is less than 1e-12 #/m3/s ~= 0.1 #/cm3/day,
         994             : ! exit with new particle formation = 0
         995   278834791 :         if (freduce*ratenuclt_kk .le. 1.0e-12_r8) return
         996             :
         997             :
         998             : ! note:  suppose that at this point, freduce < 1.0 (no gas-available
         999             : !    constraints) and molenh4a_per_moleso4a < 2.0
        1000             : ! if the gas-available constraints is do to h2so4 availability,
        1001             : !    then it would be possible to condense "additional" nh3 and have
        1002             : !    (nh3/h2so4 gas molar ratio) < (nh4/so4 aerosol molar ratio) <= 2
        1003             : ! one could do some additional calculations of
        1004             : !    dens_part & molenh4a_per_moleso4a to realize this
        1005             : ! however, the particle "growing" is a crude approximate way to get
        1006             : !    the new particles to the host code's minimum particle size,
        1007             : ! are such refinements worth the effort?
        1008             :
        1009             :
        1010             : ! changes to h2so4 & nh3 gas (in mol/mol-air), limited by amounts available
        1011   271270680 :         tmpa = 0.9999_r8
        1012   271270680 :         qh2so4_del = min( tmpa*qh2so4_cur, freduce*qmolso4a_del_max )
        1013   271270680 :         qnh3_del   = min( tmpa*qnh3_cur, qh2so4_del*molenh4a_per_moleso4a )
        1014   271270680 :         qh2so4_del = -qh2so4_del
        1015   271270680 :         qnh3_del   = -qnh3_del
        1016             :
        1017             : ! changes to so4 & nh4 aerosol (in mol/mol-air)
        1018   271270680 :         qso4a_del = -qh2so4_del
        1019   271270680 :         qnh4a_del =   -qnh3_del
        1020             : ! change to aerosol number (in #/mol-air)
        1021   271270680 :         qnuma_del = 1.0e-3_r8*(qso4a_del*mw_so4a + qnh4a_del*mw_nh4a)/mass_part
        1022             :
        1023             : ! do the following (tmpa, tmpb, tmpc) calculations as a check
        1024             : ! max production of aerosol number (#/mol-air)
        1025   271270680 :         tmpa = max( 0.0_r8, (ratenuclt_kk*dtnuc/cair) )
        1026             : ! adjusted production of aerosol number (#/mol-air)
        1027   271270680 :         tmpb = tmpa*freduce
        1028             : ! relative difference from qnuma_del
        1029   271270680 :         tmpc = (tmpb - qnuma_del)/max(tmpb, qnuma_del, 1.0e-35_r8)
        1030             :
        1031             :
        1032             : !
        1033             : ! diagnostic output to fort.41
        1034             : ! (this should be commented-out or deleted in the wrf-chem version)
        1035             : !
        1036   271270680 :         if (ldiagaa <= 0) return
        1037             :
        1038           0 :         icase = icase + 1
        1039           0 :         if (abs(tmpc) .gt. abs(reldiffmax)) then
        1040           0 :            reldiffmax = tmpc
        1041           0 :            icase_reldiffmax = icase
        1042             :         end if
        1043             : !       do lun = 41, 51, 10
        1044           0 :         do lun = 6, 6
        1045             : !          write(lun,'(/)')
        1046             :            write(lun,'(a,2i9,1p,e10.2)')   &
        1047           0 :                'vehkam bin-nuc icase, icase_rdmax =',   &
        1048           0 :                icase, icase_reldiffmax, reldiffmax
        1049           0 :            if (freduceb .lt. freducea) then
        1050           0 :               if (abs(freducea-freduceb) .gt.   &
        1051             :                    3.0e-7_r8*max(freduceb,freducea)) write(lun,'(a,1p,2e15.7)')   &
        1052           0 :                  'freducea, b =', freducea, freduceb
        1053             :            end if
        1054             :         end do
        1055             :
        1056             : ! output factors so that output matches that of ternucl03
        1057             : !       fogas  = 1.0e6                     ! convert mol/mol-air to ppm
        1058             : !       foso4a = 1.0e9*mw_so4a/mw_air      ! convert mol-so4a/mol-air to ug/kg-air
        1059             : !       fonh4a = 1.0e9*mw_nh4a/mw_air      ! convert mol-nh4a/mol-air to ug/kg-air
        1060             : !       fonuma = 1.0e3/mw_air              ! convert #/mol-air to #/kg-air
        1061             :         fogas  = 1.0_r8
        1062             :         foso4a = 1.0_r8
        1063             :         fonh4a = 1.0_r8
        1064             :         fonuma = 1.0_r8
        1065             :
        1066             : !       do lun = 41, 51, 10
        1067           0 :         do lun = 6, 6
        1068             :
        1069           0 :         write(lun,'(a,2i5)') 'newnuc_method_flagaa/aa2',   &
        1070           0 :            newnuc_method_flagaa, newnuc_method_flagaa2
        1071             :
        1072           0 :         write(lun,9210)
        1073           0 :         write(lun,9201) temp_in, rh_in,   &
        1074           0 :            ratenuclt, 2.0_r8*radius_cluster*1.0e-7_r8, dpdry_part*1.0e2_r8,   &
        1075           0 :            voldry_part*1.0e6_r8, float(igrow)
        1076           0 :         write(lun,9215)
        1077             :         write(lun,9201)   &
        1078           0 :            qh2so4_avg*fogas, 0.0_r8,  &
        1079           0 :            qh2so4_cur*fogas, qnh3_cur*fogas,  &
        1080           0 :            qh2so4_del*fogas, qnh3_del*fogas,  &
        1081           0 :            qso4a_del*foso4a, qnh4a_del*fonh4a
        1082             :
        1083           0 :         write(lun,9220)
        1084             :         write(lun,9201)   &
        1085           0 :            dtnuc, dens_nh4so4a*1.0e-3_r8,   &
        1086           0 :            (qnh3_cur/qh2so4_cur), molenh4a_per_moleso4a,   &
        1087           0 :            qnuma_del*fonuma, tmpb*fonuma, tmpc, freduce
        1088             :
        1089             :         end do
        1090             :
        1091             : !       lun = 51
        1092           0 :         lun = 6
        1093           0 :         write(lun,9230)
        1094             :         write(lun,9201)   &
        1095           0 :            press_in, cair*1.0e-6_r8, so4vol_in,   &
        1096           0 :            wet_volfrac_so4a, wetvol_dryvol, dens_part*1.0e-3_r8
        1097             :
        1098           0 :         if (igrow > 0) then
        1099           0 :         write(lun,9240)
        1100             :         write(lun,9201)   &
        1101           0 :            tmp_spd, gr_kk, dnuc_kk, dfin_kk,   &
        1102           0 :            gamma_kk, tmpa1, tmpb1, cs_kk
        1103             :
        1104           0 :         write(lun,9250)
        1105             :         write(lun,9201)   &
        1106           0 :            cs_prime_kk, nu_kk, factor_kk, ratenuclt,   &
        1107           0 :            ratenuclt_kk*1.0e-6_r8
        1108             :         end if
        1109             :
        1110             : 9201    format ( 1p, 40e10.2  )
        1111             : 9210    format (   &
        1112             :         '      temp        rh',   &
        1113             :         '   ratenuc  dia_clus ddry_part',   &
        1114             :         ' vdry_part     igrow' )
        1115             : 9215    format (   &
        1116             :         '  h2so4avg  h2so4pre',   &
        1117             :         '  h2so4cur   nh3_cur',   &
        1118             :         '  h2so4del   nh3_del',   &
        1119             :         '  so4a_del  nh4a_del' )
        1120             : 9220    format (    &
        1121             :         '     dtnuc    dens_a   nh/so g   nh/so a',   &
        1122             :         '  numa_del  numa_dl2   reldiff   freduce' )
        1123             : 9230    format (   &
        1124             :         '  press_in      cair so4_volin',   &
        1125             :         ' wet_volfr wetv_dryv dens_part' )
        1126             : 9240    format (   &
        1127             :         '   tmp_spd     gr_kk   dnuc_kk   dfin_kk',   &
        1128             :         '  gamma_kk     tmpa1     tmpb1     cs_kk' )
        1129             : 9250    format (   &
        1130             :         ' cs_pri_kk     nu_kk factor_kk ratenuclt',   &
        1131             :         ' ratenu_kk' )
        1132             :
        1133             :
        1134             :         return
        1135             :         end subroutine mer07_veh02_nuc_mosaic_1box
        1136             :
        1137             :
        1138             :
        1139             : !-----------------------------------------------------------------------
        1140             : !-----------------------------------------------------------------------
        1141    22327328 :         subroutine pbl_nuc_wang2008( so4vol,   &
        1142             :             newnuc_method_flagaa, newnuc_method_flagaa2,   &
        1143             :             ratenucl, rateloge,   &
        1144             :             cnum_tot, cnum_h2so4, cnum_nh3, radius_cluster )
        1145             : !
        1146             : ! calculates boundary nucleation nucleation rate
        1147             : ! using the first or second-order parameterization in
        1148             : !     wang, m., and j.e. penner, 2008,
        1149             : !        aerosol indirect forcing in a global model with particle nucleation,
        1150             : !        atmos. chem. phys. discuss., 8, 13943-13998
        1151             : !
        1152             :         implicit none
        1153             :
        1154             : ! subr arguments (in)
        1155             :         real(r8), intent(in) :: so4vol            ! concentration of h2so4 (molecules cm-3)
        1156             :         integer, intent(in)  :: newnuc_method_flagaa
        1157             :                                 ! [11,12] value selects [first,second]-order parameterization
        1158             :
        1159             : ! subr arguments (inout)
        1160             :         integer, intent(inout)  :: newnuc_method_flagaa2
        1161             :         real(r8), intent(inout) :: ratenucl         ! binary nucleation rate, j (# cm-3 s-1)
        1162             :         real(r8), intent(inout) :: rateloge         ! log( ratenucl )
        1163             :
        1164             :         real(r8), intent(inout) :: cnum_tot         ! total number of molecules
        1165             :                                                     ! in the critical nucleus
        1166             :         real(r8), intent(inout) :: cnum_h2so4       ! number of h2so4 molecules
        1167             :         real(r8), intent(inout) :: cnum_nh3         ! number of nh3 molecules
        1168             :         real(r8), intent(inout) :: radius_cluster   ! the radius of cluster (nm)
        1169             :
        1170             :
        1171             : ! local variables
        1172             :         real(r8) :: tmp_diam, tmp_mass, tmp_volu
        1173             :         real(r8) :: tmp_rateloge, tmp_ratenucl
        1174             :
        1175             : ! executable
        1176             :
        1177             :
        1178             : ! nucleation rate
        1179    22327328 :         if (newnuc_method_flagaa == 11) then
        1180    22327328 :            tmp_ratenucl = 1.0e-6_r8 * so4vol
        1181           0 :         else if (newnuc_method_flagaa == 12) then
        1182           0 :            tmp_ratenucl = 1.0e-12_r8 * (so4vol**2)
        1183             :         else
        1184             :            return
        1185             :         end if
        1186    22327328 :         tmp_rateloge = log( tmp_ratenucl )
        1187             :
        1188             : ! exit if pbl nuc rate is lower than (incoming) ternary/binary rate
        1189    22327328 :         if (tmp_rateloge <= rateloge) return
        1190             :
        1191    22265208 :         rateloge = tmp_rateloge
        1192    22265208 :         ratenucl = tmp_ratenucl
        1193    22265208 :         newnuc_method_flagaa2 = newnuc_method_flagaa
        1194             :
        1195             : ! following wang 2002, assume fresh nuclei are 1 nm diameter
        1196             : !    subsequent code will "grow" them to aitken mode size
        1197    22265208 :         radius_cluster = 0.5_r8
        1198             :
        1199             : ! assume fresh nuclei are pure h2so4
        1200             : !    since aitken size >> initial size, the initial composition
        1201             : !    has very little impact on the results
        1202    22265208 :         tmp_diam = radius_cluster * 2.0e-7_r8   ! diameter in cm
        1203    22265208 :         tmp_volu = (tmp_diam**3) * (pi/6.0_r8)  ! volume in cm^3
        1204    22265208 :         tmp_mass = tmp_volu * 1.8_r8            ! mass in g
        1205    22265208 :         cnum_h2so4 = (tmp_mass / 98.0_r8) * 6.023e23_r8   ! no. of h2so4 molec assuming pure h2so4
        1206    22265208 :         cnum_tot = cnum_h2so4
        1207    22265208 :         cnum_nh3 = 0.0_r8
        1208             :
        1209             :
        1210    22265208 :         return
        1211             :         end subroutine pbl_nuc_wang2008
        1212             :
        1213             :
        1214             :
        1215             : !-----------------------------------------------------------------------
        1216             : !-----------------------------------------------------------------------
        1217   739780990 :         subroutine binary_nuc_vehk2002( temp, rh, so4vol,   &
        1218             :             ratenucl, rateloge,   &
        1219             :             cnum_h2so4, cnum_tot, radius_cluster )
        1220             : !
        1221             : ! calculates binary nucleation rate and critical cluster size
        1222             : ! using the parameterization in
        1223             : !     vehkamäki, h., m. kulmala, i. napari, k.e.j. lehtinen,
        1224             : !        c. timmreck, m. noppel and a. laaksonen, 2002,
        1225             : !        an improved parameterization for sulfuric acid-water nucleation
        1226             : !        rates for tropospheric and stratospheric conditions,
        1227             : !        j. geophys. res., 107, 4622, doi:10.1029/2002jd002184
        1228             : !
        1229             :         implicit none
        1230             :
        1231             : ! subr arguments (in)
        1232             :         real(r8), intent(in) :: temp              ! temperature (k)
        1233             :         real(r8), intent(in) :: rh                ! relative humidity (0-1)
        1234             :         real(r8), intent(in) :: so4vol            ! concentration of h2so4 (molecules cm-3)
        1235             :
        1236             : ! subr arguments (out)
        1237             :         real(r8), intent(out) :: ratenucl         ! binary nucleation rate, j (# cm-3 s-1)
        1238             :         real(r8), intent(out) :: rateloge         ! log( ratenucl )
        1239             :
        1240             :         real(r8), intent(out) :: cnum_h2so4       ! number of h2so4 molecules
        1241             :                                                   ! in the critical nucleus
        1242             :         real(r8), intent(out) :: cnum_tot         ! total number of molecules
        1243             :                                                   ! in the critical nucleus
        1244             :         real(r8), intent(out) :: radius_cluster   ! the radius of cluster (nm)
        1245             :
        1246             :
        1247             : ! local variables
        1248             :         real(r8) :: crit_x
        1249             :         real(r8) :: acoe, bcoe, ccoe, dcoe, ecoe, fcoe, gcoe, hcoe, icoe, jcoe
        1250             :         real(r8) :: tmpa, tmpb
        1251             :
        1252             : ! executable
        1253             :
        1254             :
        1255             : ! calc sulfuric acid mole fraction in critical cluster
        1256             :         crit_x = 0.740997_r8 - 0.00266379_r8 * temp   &
        1257             :                - 0.00349998_r8 * log (so4vol)   &
        1258             :                + 0.0000504022_r8 * temp * log (so4vol)   &
        1259             :                + 0.00201048_r8 * log (rh)   &
        1260             :                - 0.000183289_r8 * temp * log (rh)   &
        1261             :                + 0.00157407_r8 * (log (rh)) ** 2.0_r8   &
        1262             :                - 0.0000179059_r8 * temp * (log (rh)) ** 2.0_r8   &
        1263             :                + 0.000184403_r8 * (log (rh)) ** 3.0_r8   &
        1264   739780990 :                - 1.50345e-6_r8 * temp * (log (rh)) ** 3.0_r8
        1265             :
        1266             :
        1267             : ! calc nucleation rate
        1268             :         acoe    = 0.14309_r8+2.21956_r8*temp   &
        1269             :                 - 0.0273911_r8 * temp**2.0_r8   &
        1270   739780990 :                 + 0.0000722811_r8 * temp**3.0_r8 + 5.91822_r8/crit_x
        1271             :
        1272             :         bcoe    = 0.117489_r8 + 0.462532_r8 *temp   &
        1273             :                 - 0.0118059_r8 * temp**2.0_r8   &
        1274   739780990 :                 + 0.0000404196_r8 * temp**3.0_r8 + 15.7963_r8/crit_x
        1275             :
        1276             :         ccoe    = -0.215554_r8-0.0810269_r8 * temp   &
        1277             :                 + 0.00143581_r8 * temp**2.0_r8   &
        1278             :                 - 4.7758e-6_r8 * temp**3.0_r8   &
        1279   739780990 :                 - 2.91297_r8/crit_x
        1280             :
        1281             :         dcoe    = -3.58856_r8+0.049508_r8 * temp   &
        1282             :                 - 0.00021382_r8 * temp**2.0_r8   &
        1283             :                 + 3.10801e-7_r8 * temp**3.0_r8   &
        1284   739780990 :                 - 0.0293333_r8/crit_x
        1285             :
        1286             :         ecoe    = 1.14598_r8 - 0.600796_r8 * temp   &
        1287             :                 + 0.00864245_r8 * temp**2.0_r8   &
        1288             :                 - 0.0000228947_r8 * temp**3.0_r8   &
        1289   739780990 :                 - 8.44985_r8/crit_x
        1290             :
        1291             :         fcoe    = 2.15855_r8 + 0.0808121_r8 * temp   &
        1292             :                 -0.000407382_r8 * temp**2.0_r8   &
        1293             :                 -4.01957e-7_r8 * temp**3.0_r8   &
        1294   739780990 :                 + 0.721326_r8/crit_x
        1295             :
        1296             :         gcoe    = 1.6241_r8 - 0.0160106_r8 * temp   &
        1297             :                 + 0.0000377124_r8 * temp**2.0_r8   &
        1298             :                 + 3.21794e-8_r8 * temp**3.0_r8   &
        1299   739780990 :                 - 0.0113255_r8/crit_x
        1300             :
        1301             :         hcoe    = 9.71682_r8 - 0.115048_r8 * temp   &
        1302             :                 + 0.000157098_r8 * temp**2.0_r8   &
        1303             :                 + 4.00914e-7_r8 * temp**3.0_r8   &
        1304   739780990 :                 + 0.71186_r8/crit_x
        1305             :
        1306             :         icoe    = -1.05611_r8 + 0.00903378_r8 * temp   &
        1307             :                 - 0.0000198417_r8 * temp**2.0_r8   &
        1308             :                 + 2.46048e-8_r8  * temp**3.0_r8   &
        1309   739780990 :                 - 0.0579087_r8/crit_x
        1310             :
        1311             :         jcoe    = -0.148712_r8 + 0.00283508_r8 * temp   &
        1312             :                 - 9.24619e-6_r8  * temp**2.0_r8   &
        1313             :                 + 5.00427e-9_r8 * temp**3.0_r8   &
        1314   739780990 :                 - 0.0127081_r8/crit_x
        1315             :
        1316             :         tmpa     =     (   &
        1317             :                   acoe   &
        1318             :                 + bcoe * log (rh)   &
        1319             :                 + ccoe * ( log (rh))**2.0_r8   &
        1320             :                 + dcoe * ( log (rh))**3.0_r8   &
        1321             :                 + ecoe * log (so4vol)   &
        1322             :                 + fcoe * (log (rh)) * (log (so4vol))   &
        1323             :                 + gcoe * ((log (rh) ) **2.0_r8)   &
        1324             :                        * (log (so4vol))   &
        1325             :                 + hcoe * (log (so4vol)) **2.0_r8   &
        1326             :                 + icoe * log (rh)   &
        1327             :                        * ((log (so4vol)) **2.0_r8)   &
        1328             :                 + jcoe * (log (so4vol)) **3.0_r8   &
        1329   739780990 :                 )
        1330   739780990 :         rateloge = tmpa
        1331   739780990 :         tmpa = min( tmpa, log(1.0e38_r8) )
        1332   739780990 :         ratenucl = exp ( tmpa )
        1333             : !       write(*,*) 'tmpa, ratenucl =', tmpa, ratenucl
        1334             :
        1335             :
        1336             :
        1337             : ! calc number of molecules in critical cluster
        1338             :         acoe    = -0.00295413_r8 - 0.0976834_r8*temp   &
        1339             :                 + 0.00102485_r8 * temp**2.0_r8   &
        1340   739780990 :                 - 2.18646e-6_r8 * temp**3.0_r8 - 0.101717_r8/crit_x
        1341             :
        1342             :         bcoe    = -0.00205064_r8 - 0.00758504_r8*temp   &
        1343             :                 + 0.000192654_r8 * temp**2.0_r8   &
        1344   739780990 :                 - 6.7043e-7_r8 * temp**3.0_r8 - 0.255774_r8/crit_x
        1345             :
        1346             :         ccoe    = +0.00322308_r8 + 0.000852637_r8 * temp   &
        1347             :                 - 0.0000154757_r8 * temp**2.0_r8   &
        1348             :                 + 5.66661e-8_r8 * temp**3.0_r8   &
        1349   739780990 :                 + 0.0338444_r8/crit_x
        1350             :
        1351             :         dcoe    = +0.0474323_r8 - 0.000625104_r8 * temp   &
        1352             :                 + 2.65066e-6_r8 * temp**2.0_r8   &
        1353             :                 - 3.67471e-9_r8 * temp**3.0_r8   &
        1354   739780990 :                 - 0.000267251_r8/crit_x
        1355             :
        1356             :         ecoe    = -0.0125211_r8 + 0.00580655_r8 * temp   &
        1357             :                 - 0.000101674_r8 * temp**2.0_r8   &
        1358             :                 + 2.88195e-7_r8 * temp**3.0_r8   &
        1359   739780990 :                 + 0.0942243_r8/crit_x
        1360             :
        1361             :         fcoe    = -0.038546_r8 - 0.000672316_r8 * temp   &
        1362             :                 + 2.60288e-6_r8 * temp**2.0_r8   &
        1363             :                 + 1.19416e-8_r8 * temp**3.0_r8   &
        1364   739780990 :                 - 0.00851515_r8/crit_x
        1365             :
        1366             :         gcoe    = -0.0183749_r8 + 0.000172072_r8 * temp   &
        1367             :                 - 3.71766e-7_r8 * temp**2.0_r8   &
        1368             :                 - 5.14875e-10_r8 * temp**3.0_r8   &
        1369   739780990 :                 + 0.00026866_r8/crit_x
        1370             :
        1371             :         hcoe    = -0.0619974_r8 + 0.000906958_r8 * temp   &
        1372             :                 - 9.11728e-7_r8 * temp**2.0_r8   &
        1373             :                 - 5.36796e-9_r8 * temp**3.0_r8   &
        1374   739780990 :                 - 0.00774234_r8/crit_x
        1375             :
        1376             :         icoe    = +0.0121827_r8 - 0.00010665_r8 * temp   &
        1377             :                 + 2.5346e-7_r8 * temp**2.0_r8   &
        1378             :                 - 3.63519e-10_r8 * temp**3.0_r8   &
        1379   739780990 :                 + 0.000610065_r8/crit_x
        1380             :
        1381             :         jcoe    = +0.000320184_r8 - 0.0000174762_r8 * temp   &
        1382             :                 + 6.06504e-8_r8 * temp**2.0_r8   &
        1383             :                 - 1.4177e-11_r8 * temp**3.0_r8   &
        1384   739780990 :                 + 0.000135751_r8/crit_x
        1385             :
        1386             :         cnum_tot = exp (   &
        1387             :                   acoe   &
        1388             :                 + bcoe * log (rh)   &
        1389             :                 + ccoe * ( log (rh))**2.0_r8   &
        1390             :                 + dcoe * ( log (rh))**3.0_r8   &
        1391             :                 + ecoe * log (so4vol)   &
        1392             :                 + fcoe * (log (rh)) * (log (so4vol))   &
        1393             :                 + gcoe * ((log (rh) ) **2.0_r8)   &
        1394             :                        * (log (so4vol))   &
        1395             :                 + hcoe * (log (so4vol)) **2.0_r8   &
        1396             :                 + icoe * log (rh)   &
        1397             :                        * ((log (so4vol)) **2.0_r8)   &
        1398             :                 + jcoe * (log (so4vol)) **3.0_r8   &
        1399   739780990 :                 )
        1400             :
        1401   739780990 :         cnum_h2so4 = cnum_tot * crit_x
        1402             :
        1403             : !   calc radius (nm) of critical cluster
        1404             :         radius_cluster = exp( -1.6524245_r8 + 0.42316402_r8*crit_x   &
        1405   739780990 :                               + 0.3346648_r8*log(cnum_tot) )
        1406             :
        1407             :
        1408   739780990 :       return
        1409             :       end subroutine binary_nuc_vehk2002
        1410             :
        1411             :
        1412             :
        1413             : !----------------------------------------------------------------------
        1414             : !----------------------------------------------------------------------
        1415        1536 : subroutine modal_aero_newnuc_init
        1416             :
        1417             : !-----------------------------------------------------------------------
        1418             : !
        1419             : ! Purpose:
        1420             : !    set do_adjust and do_aitken flags
        1421             : !    create history fields for column tendencies associated with
        1422             : !       modal_aero_calcsize
        1423             : !
        1424             : ! Author: R. Easter
        1425             : !
        1426             : !-----------------------------------------------------------------------
        1427             :
        1428             : use modal_aero_data
        1429             : use modal_aero_rename
        1430             :
        1431             : use cam_abortutils,   only:  endrun
        1432             : use cam_history,      only:  addfld, add_default, fieldname_len, horiz_only
        1433             : use constituents,     only:  pcnst, cnst_get_ind, cnst_name
        1434             : use spmd_utils,       only:  masterproc
        1435             : use phys_control,     only: phys_getopts
        1436             :
        1437             :
        1438             : implicit none
        1439             :
        1440             : !-----------------------------------------------------------------------
        1441             : ! arguments
        1442             :
        1443             : !-----------------------------------------------------------------------
        1444             : ! local
        1445             :    integer  :: l_h2so4, l_nh3
        1446             :    integer  :: lnumait, lnh4ait, lso4ait
        1447             :    integer  :: l, l1, l2
        1448             :    integer  :: m, mait
        1449             :
        1450             :    character(len=fieldname_len)   :: tmpname
        1451             :    character(len=fieldname_len+3) :: fieldname
        1452             :    character(128)                 :: long_name
        1453             :    character(8)                   :: unit
        1454             :
        1455             :    logical                        :: dotend(pcnst)
        1456             :    logical                        :: history_aerosol      ! Output the MAM aerosol tendencies
        1457             :
        1458             :    !-----------------------------------------------------------------------
        1459             :
        1460        1536 :         call phys_getopts( history_aerosol_out        = history_aerosol   )
        1461             :
        1462             :
        1463             : !   set these indices
        1464             : !   skip if no h2so4 species
        1465             : !   skip if no aitken mode so4 or num species
        1466        1536 :         l_h2so4_sv = 0
        1467        1536 :         l_nh3_sv = 0
        1468        1536 :         lnumait_sv = 0
        1469        1536 :         lnh4ait_sv = 0
        1470        1536 :         lso4ait_sv = 0
        1471             :
        1472        1536 :         call cnst_get_ind( 'H2SO4', l_h2so4, .false. )
        1473        1536 :         call cnst_get_ind( 'NH3', l_nh3, .false. )
        1474             :
        1475        1536 :         mait = modeptr_aitken
        1476        1536 :         if (mait > 0) then
        1477        1536 :             lnumait = numptr_amode(mait)
        1478        1536 :             lso4ait = lptr_so4_a_amode(mait)
        1479        1536 :             lnh4ait = lptr_nh4_a_amode(mait)
        1480             :         end if
        1481        1536 :         if ((l_h2so4  <= 0) .or. (l_h2so4 > pcnst)) then
        1482             :             write(*,'(/a/)')   &
        1483           0 :                 '*** modal_aero_newnuc bypass -- l_h2so4 <= 0'
        1484           0 :             return
        1485        1536 :         else if ((lso4ait <= 0) .or. (lso4ait > pcnst)) then
        1486             :             write(*,'(/a/)')   &
        1487           0 :                 '*** modal_aero_newnuc bypass -- lso4ait <= 0'
        1488           0 :             return
        1489        1536 :         else if ((lnumait <= 0) .or. (lnumait > pcnst)) then
        1490             :             write(*,'(/a/)')   &
        1491           0 :                 '*** modal_aero_newnuc bypass -- lnumait <= 0'
        1492           0 :             return
        1493        1536 :         else if ((mait <= 0) .or. (mait > ntot_amode)) then
        1494             :             write(*,'(/a/)')   &
        1495           0 :                 '*** modal_aero_newnuc bypass -- modeptr_aitken <= 0'
        1496           0 :             return
        1497             :         end if
        1498             :
        1499        1536 :         l_h2so4_sv = l_h2so4
        1500        1536 :         l_nh3_sv   = l_nh3
        1501        1536 :         lnumait_sv = lnumait
        1502        1536 :         lnh4ait_sv = lnh4ait
        1503        1536 :         lso4ait_sv = lso4ait
        1504             :
        1505             : !   set these constants
        1506             : !      mw_so4a_host is molec-wght of sulfate aerosol in host code
        1507             : !         96 when nh3/nh4 are simulated
        1508             : !         something else when nh3/nh4 are not simulated
        1509        1536 :         l = lptr_so4_a_amode(mait) ; l2 = -1
        1510        1536 :         if (l <= 0) call endrun( 'modal_aero_newnuch_init error a001 finding aitken so4' )
        1511        7680 :         do l1 = 1, nspec_amode(mait)
        1512        7680 :            if (lmassptr_amode(l1,mait) == l) then
        1513        1536 :               l2 = l1
        1514        1536 :               mw_so4a_host = specmw_amode(l1,mait)
        1515        1536 :               dens_so4a_host = specdens_amode(l1,mait)
        1516             :            end if
        1517             :         end do
        1518        1536 :         if (l2 <= 0) call endrun( 'modal_aero_newnuch_init error a002 finding aitken so4' )
        1519             :
        1520        1536 :         l = lptr_nh4_a_amode(mait) ; l2 = -1
        1521        1536 :         if (l > 0) then
        1522           0 :            do l1 = 1, nspec_amode(mait)
        1523           0 :               if (lmassptr_amode(l1,mait) == l) then
        1524           0 :                  l2 = l1
        1525           0 :                  mw_nh4a_host = specmw_amode(l1,mait)
        1526             :               end if
        1527             :            end do
        1528           0 :            if (l2 <= 0) call endrun( 'modal_aero_newnuch_init error a002 finding aitken nh4' )
        1529             :         else
        1530        1536 :            mw_nh4a_host = mw_so4a_host
        1531             :         end if
        1532             :
        1533             : !
        1534             : !   create history file column-tendency fields
        1535             : !
        1536        1536 :         dotend(:) = .false.
        1537        1536 :         dotend(lnumait) = .true.
        1538        1536 :         dotend(lso4ait) = .true.
        1539        1536 :         dotend(l_h2so4) = .true.
        1540             :         if ((l_nh3   > 0) .and. (l_nh3   <= pcnst) .and. &
        1541        1536 :             (lnh4ait > 0) .and. (lnh4ait <= pcnst)) then
        1542           0 :             dotend(lnh4ait) = .true.
        1543           0 :             dotend(l_nh3) = .true.
        1544             :         end if
        1545             :
        1546       64512 :         do l = 1, pcnst
        1547       62976 :             if ( .not. dotend(l) ) cycle
        1548        4608 :             tmpname = cnst_name(l)
        1549        4608 :             unit = 'kg/m2/s'
        1550       23040 :             do m = 1, ntot_amode
        1551       23040 :                 if (l == numptr_amode(m)) unit = '#/m2/s'
        1552             :             end do
        1553        4608 :             fieldname = trim(tmpname) // '_sfnnuc1'
        1554        4608 :             long_name = trim(tmpname) // ' modal_aero new particle nucleation column tendency'
        1555        4608 :             call addfld( fieldname, horiz_only, 'A', unit, long_name )
        1556        4608 :             if ( history_aerosol ) then
        1557           0 :                call add_default( fieldname, 1, ' ' )
        1558             :             endif
        1559        4608 :             if ( masterproc ) write(*,'(3(a,2x))') &
        1560        1542 :                 'modal_aero_newnuc_init addfld', fieldname, unit
        1561             :         end do ! l = ...
        1562             :
        1563             :
        1564             :       return
        1565        1536 :       end subroutine modal_aero_newnuc_init
        1566             :
        1567             :
        1568             :
        1569             : !----------------------------------------------------------------------
        1570             : !----------------------------------------------------------------------
        1571           0 : subroutine ternary_nuc_merik2007( t, rh, c2, c3, j_log, ntot, nacid, namm, r )
        1572             : !subroutine ternary_fit(          t, rh, c2, c3, j_log, ntot, nacid, namm, r )
        1573             : ! *************************** ternary_fit.f90 ********************************
        1574             : ! joonas merikanto, 2006
        1575             : !
        1576             : ! fortran 90 subroutine that calculates the parameterized composition
        1577             : ! and nucleation rate of critical clusters in h2o-h2so4-nh3 vapor
        1578             : !
        1579             : ! warning: the fit should not be used outside its limits of validity
        1580             : ! (limits indicated below)
        1581             : !
        1582             : ! in:
        1583             : ! t:     temperature (k), limits 235-295 k
        1584             : ! rh:    relative humidity as fraction (eg. 0.5=50%) limits 0.05-0.95
        1585             : ! c2:    sulfuric acid concentration (molecules/cm3) limits 5x10^4 - 10^9 molecules/cm3
        1586             : ! c3:    ammonia mixing ratio (ppt) limits 0.1 - 1000 ppt
        1587             : !
        1588             : ! out:
        1589             : ! j_log: logarithm of nucleation rate (1/(s cm3))
        1590             : ! ntot:  total number of molecules in the critical cluster
        1591             : ! nacid: number of sulfuric acid molecules in the critical cluster
        1592             : ! namm:  number of ammonia molecules in the critical cluster
        1593             : ! r:     radius of the critical cluster (nm)
        1594             : !  ****************************************************************************
        1595             : implicit none
        1596             :
        1597             : real(r8), intent(in) :: t, rh, c2, c3
        1598             : real(r8), intent(out) :: j_log, ntot, nacid, namm, r
        1599             : real(r8) :: j, t_onset
        1600             :
        1601             : t_onset=143.6002929064716_r8 + 1.0178856665693992_r8*rh + &
        1602             :    10.196398812974294_r8*log(c2) - &
        1603             :    0.1849879416839113_r8*log(c2)**2 - 17.161783213150173_r8*log(c3) + &
        1604             :    (109.92469248546053_r8*log(c3))/log(c2) + &
        1605           0 :    0.7734119613144357_r8*log(c2)*log(c3) - 0.15576469879527022_r8*log(c3)**2
        1606             :
        1607           0 : if(t_onset.gt.t) then
        1608             :
        1609             :    j_log=-12.861848898625231_r8 + 4.905527742256349_r8*c3 - 358.2337705052991_r8*rh -&
        1610             :    0.05463019231872484_r8*c3*t + 4.8630382337426985_r8*rh*t + &
        1611             :    0.00020258394697064567_r8*c3*t**2 - 0.02175548069741675_r8*rh*t**2 - &
        1612             :    2.502406532869512e-7_r8*c3*t**3 + 0.00003212869941055865_r8*rh*t**3 - &
        1613             :    4.39129415725234e6_r8/log(c2)**2 + (56383.93843154586_r8*t)/log(c2)**2 -&
        1614             :    (239.835990963361_r8*t**2)/log(c2)**2 + &
        1615             :    (0.33765136625580167_r8*t**3)/log(c2)**2 - &
        1616             :    (629.7882041830943_r8*rh)/(c3**3*log(c2)) + &
        1617             :    (7.772806552631709_r8*rh*t)/(c3**3*log(c2)) - &
        1618             :    (0.031974053936299256_r8*rh*t**2)/(c3**3*log(c2)) + &
        1619             :    (0.00004383764128775082_r8*rh*t**3)/(c3**3*log(c2)) + &
        1620             :    1200.472096232311_r8*log(c2) - 17.37107890065621_r8*t*log(c2) + &
        1621             :    0.08170681335921742_r8*t**2*log(c2) - 0.00012534476159729881_r8*t**3*log(c2) - &
        1622             :    14.833042158178936_r8*log(c2)**2 + 0.2932631303555295_r8*t*log(c2)**2 - &
        1623             :    0.0016497524241142845_r8*t**2*log(c2)**2 + &
        1624             :    2.844074805239367e-6_r8*t**3*log(c2)**2 - 231375.56676032578_r8*log(c3) - &
        1625             :    100.21645273730675_r8*rh*log(c3) + 2919.2852552424706_r8*t*log(c3) + &
        1626             :    0.977886555834732_r8*rh*t*log(c3) - 12.286497122264588_r8*t**2*log(c3) - &
        1627             :    0.0030511783284506377_r8*rh*t**2*log(c3) + &
        1628             :    0.017249301826661612_r8*t**3*log(c3) + 2.967320346100855e-6_r8*rh*t**3*log(c3) + &
        1629             :    (2.360931724951942e6_r8*log(c3))/log(c2) - &
        1630             :    (29752.130254319443_r8*t*log(c3))/log(c2) + &
        1631             :    (125.04965118142027_r8*t**2*log(c3))/log(c2) - &
        1632             :    (0.1752996881934318_r8*t**3*log(c3))/log(c2) + &
        1633             :    5599.912337254629_r8*log(c2)*log(c3) - 70.70896612937771_r8*t*log(c2)*log(c3) + &
        1634             :    0.2978801613269466_r8*t**2*log(c2)*log(c3) - &
        1635             :    0.00041866525019504_r8*t**3*log(c2)*log(c3) + 75061.15281456841_r8*log(c3)**2 - &
        1636             :    931.8802278173565_r8*t*log(c3)**2 + 3.863266220840964_r8*t**2*log(c3)**2 - &
        1637             :    0.005349472062284983_r8*t**3*log(c3)**2 - &
        1638             :    (732006.8180571689_r8*log(c3)**2)/log(c2) + &
        1639             :    (9100.06398573816_r8*t*log(c3)**2)/log(c2) - &
        1640             :    (37.771091915932004_r8*t**2*log(c3)**2)/log(c2) + &
        1641             :    (0.05235455395566905_r8*t**3*log(c3)**2)/log(c2) - &
        1642             :    1911.0303773001353_r8*log(c2)*log(c3)**2 + &
        1643             :    23.6903969622286_r8*t*log(c2)*log(c3)**2 - &
        1644             :    0.09807872005428583_r8*t**2*log(c2)*log(c3)**2 + &
        1645             :    0.00013564560238552576_r8*t**3*log(c2)*log(c3)**2 - &
        1646             :    3180.5610833308_r8*log(c3)**3 + 39.08268568672095_r8*t*log(c3)**3 - &
        1647             :    0.16048521066690752_r8*t**2*log(c3)**3 + &
        1648             :    0.00022031380023793877_r8*t**3*log(c3)**3 + &
        1649             :    (40751.075322248245_r8*log(c3)**3)/log(c2) - &
        1650             :    (501.66977622013934_r8*t*log(c3)**3)/log(c2) + &
        1651             :    (2.063469732254135_r8*t**2*log(c3)**3)/log(c2) - &
        1652             :    (0.002836873785758324_r8*t**3*log(c3)**3)/log(c2) + &
        1653             :    2.792313345723013_r8*log(c2)**2*log(c3)**3 - &
        1654             :    0.03422552111802899_r8*t*log(c2)**2*log(c3)**3 + &
        1655             :    0.00014019195277521142_r8*t**2*log(c2)**2*log(c3)**3 - &
        1656             :    1.9201227328396297e-7_r8*t**3*log(c2)**2*log(c3)**3 - &
        1657             :    980.923146020468_r8*log(rh) + 10.054155220444462_r8*t*log(rh) - &
        1658             :    0.03306644502023841_r8*t**2*log(rh) + 0.000034274041225891804_r8*t**3*log(rh) + &
        1659             :    (16597.75554295064_r8*log(rh))/log(c2) - &
        1660             :    (175.2365504237746_r8*t*log(rh))/log(c2) + &
        1661             :    (0.6033215603167458_r8*t**2*log(rh))/log(c2) - &
        1662             :    (0.0006731787599587544_r8*t**3*log(rh))/log(c2) - &
        1663             :    89.38961120336789_r8*log(c3)*log(rh) + 1.153344219304926_r8*t*log(c3)*log(rh) - &
        1664             :    0.004954549700267233_r8*t**2*log(c3)*log(rh) + &
        1665             :    7.096309866238719e-6_r8*t**3*log(c3)*log(rh) + &
        1666             :    3.1712136610383244_r8*log(c3)**3*log(rh) - &
        1667             :    0.037822330602328806_r8*t*log(c3)**3*log(rh) + &
        1668             :    0.0001500555743561457_r8*t**2*log(c3)**3*log(rh) - &
        1669           0 :    1.9828365865570703e-7_r8*t**3*log(c3)**3*log(rh)
        1670             :
        1671           0 :    j=exp(j_log)
        1672             :
        1673             :    ntot=57.40091052369212_r8 - 0.2996341884645408_r8*t + &
        1674             :    0.0007395477768531926_r8*t**2 - &
        1675             :    5.090604835032423_r8*log(c2) + 0.011016634044531128_r8*t*log(c2) + &
        1676             :    0.06750032251225707_r8*log(c2)**2 - 0.8102831333223962_r8*log(c3) + &
        1677             :    0.015905081275952426_r8*t*log(c3) - 0.2044174683159531_r8*log(c2)*log(c3) + &
        1678             :    0.08918159167625832_r8*log(c3)**2 - 0.0004969033586666147_r8*t*log(c3)**2 + &
        1679             :    0.005704394549007816_r8*log(c3)**3 + 3.4098703903474368_r8*log(j) - &
        1680             :    0.014916956508210809_r8*t*log(j) + 0.08459090011666293_r8*log(c3)*log(j) - &
        1681           0 :    0.00014800625143907616_r8*t*log(c3)*log(j) + 0.00503804694656905_r8*log(j)**2
        1682             :
        1683             :    r=3.2888553966535506e-10_r8 - 3.374171768439839e-12_r8*t + &
        1684             :    1.8347359507774313e-14_r8*t**2 + 2.5419844298881856e-12_r8*log(c2) - &
        1685             :    9.498107643050827e-14_r8*t*log(c2) + 7.446266520834559e-13_r8*log(c2)**2 + &
        1686             :    2.4303397746137294e-11_r8*log(c3) + 1.589324325956633e-14_r8*t*log(c3) - &
        1687             :    2.034596219775266e-12_r8*log(c2)*log(c3) - 5.59303954457172e-13_r8*log(c3)**2 - &
        1688             :    4.889507104645867e-16_r8*t*log(c3)**2 + 1.3847024107506764e-13_r8*log(c3)**3 + &
        1689             :    4.141077193427042e-15_r8*log(j) - 2.6813110884009767e-14_r8*t*log(j) + &
        1690             :    1.2879071621313094e-12_r8*log(c3)*log(j) - &
        1691           0 :    3.80352446061867e-15_r8*t*log(c3)*log(j) - 1.8790172502456827e-14_r8*log(j)**2
        1692             :
        1693             :    nacid=-4.7154180661803595_r8 + 0.13436423483953885_r8*t - &
        1694             :    0.00047184686478816176_r8*t**2 - &
        1695             :    2.564010713640308_r8*log(c2) + 0.011353312899114723_r8*t*log(c2) + &
        1696             :    0.0010801941974317014_r8*log(c2)**2 + 0.5171368624197119_r8*log(c3) - &
        1697             :    0.0027882479896204665_r8*t*log(c3) + 0.8066971907026886_r8*log(c3)**2 - &
        1698             :    0.0031849094214409335_r8*t*log(c3)**2 - 0.09951184152927882_r8*log(c3)**3 + &
        1699             :    0.00040072788891745513_r8*t*log(c3)**3 + 1.3276469271073974_r8*log(j) - &
        1700             :    0.006167654171986281_r8*t*log(j) - 0.11061390967822708_r8*log(c3)*log(j) + &
        1701           0 :    0.0004367575329273496_r8*t*log(c3)*log(j) + 0.000916366357266258_r8*log(j)**2
        1702             :
        1703             :    namm=71.20073903979772_r8 - 0.8409600103431923_r8*t + &
        1704             :    0.0024803006590334922_r8*t**2 + &
        1705             :    2.7798606841602607_r8*log(c2) - 0.01475023348171676_r8*t*log(c2) + &
        1706             :    0.012264508212031405_r8*log(c2)**2 - 2.009926050440182_r8*log(c3) + &
        1707             :    0.008689123511431527_r8*t*log(c3) - 0.009141180198955415_r8*log(c2)*log(c3) + &
        1708             :    0.1374122553905617_r8*log(c3)**2 - 0.0006253227821679215_r8*t*log(c3)**2 + &
        1709             :    0.00009377332742098946_r8*log(c3)**3 + 0.5202974341687757_r8*log(j) - &
        1710             :    0.002419872323052805_r8*t*log(j) + 0.07916392322884074_r8*log(c3)*log(j) - &
        1711           0 :    0.0003021586030317366_r8*t*log(c3)*log(j) + 0.0046977006608603395_r8*log(j)**2
        1712             :
        1713             : else
        1714             : ! nucleation rate less that 5e-6, setting j_log arbitrary small
        1715           0 :    j_log=-300._r8
        1716             : end if
        1717             :
        1718           0 : return
        1719             :
        1720        1536 : end  subroutine ternary_nuc_merik2007
        1721             :
        1722             : !----------------------------------------------------------------------
        1723             : end module modal_aero_newnuc
        1724             :
        1725             :
        1726             :

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