File: kinrates.f90

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!-------------------------------------------------------------------------------

! This file is part of Code_Saturne, a general-purpose CFD tool.
!
! Copyright (C) 1998-2016 EDF S.A.
!
! This program is free software; you can redistribute it and/or modify it under
! the terms of the GNU General Public License as published by the Free Software
! Foundation; either version 2 of the License, or (at your option) any later
! version.
!
! This program is distributed in the hope that it will be useful, but WITHOUT
! ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
! FOR A PARTICULAR PURPOSE.  See the GNU General Public License for more
! details.
!
! You should have received a copy of the GNU General Public License along with
! this program; if not, write to the Free Software Foundation, Inc., 51 Franklin
! Street, Fifth Floor, Boston, MA 02110-1301, USA.

!===============================================================================
!  Purpose:
!  --------

!> \file kinrates.f90
!> \brief Calls the computation of reaction rates for atmospheric chemistry

!-------------------------------------------------------------------------------
subroutine kinrates ()

!===============================================================================
! Module files
!===============================================================================

use paramx
use numvar
use entsor
use optcal
use cstphy
use cstnum
use parall
use period
use ppppar
use ppthch
use ppincl
use mesh
use field
use atincl
use atchem
use siream

implicit none

!===============================================================================

! Local variables

integer iel,ii
double precision temp, dens          ! temperature, density
double precision press, hspec        ! pressure, specific humidity (kg/kg)
double precision rk(nrg)             ! kinetic rates
double precision azi                 ! zenith angle
double precision dlmuzero            ! cos of zenith angle
double precision zent                ! Z coordinate of a cell
double precision qureel              ! julian day
double precision heurtu              ! yime (UTC)
double precision albe                ! albedo, useless here
double precision fo                  ! solar constant, useless here

double precision, dimension(:), pointer :: crom
double precision, dimension(:), pointer :: cvar_totwt
double precision, dimension(:), pointer :: cpro_tempc, cpro_liqwt

! Initialisation

temp = t0
dens = ro0
press = dens*rair*temp ! ideal gas law
hspec = 0.0d0

if (ippmod(iatmos).ge.1) then
  call field_get_val_s(icrom, crom)
  call field_get_val_s(iprpfl(itempc), cpro_tempc)
endif

if (ippmod(iatmos).ge.2) then
  call field_get_val_s(ivarfl(isca(itotwt)), cvar_totwt)
  call field_get_val_s(iprpfl(iliqwt), cpro_liqwt)
endif

! Computation of kinetic rates in every cell

! Computation of zenith angle
qureel = float(squant)
heurtu = float(shour) + float(smin)/60.d0+ssec/3600.d0
call raysze(xlat,xlon,qureel,heurtu,0,albe,dlmuzero,fo)
azi = dabs(dacos(dlmuzero)*180.d0/pi)

! To be sure to cut photolysis (SPACK does not) if azi>90
if (azi.gt.90.0d0) then
  iphotolysis = 2
endif

! Loop on cells
do iel = 1, ncel
  zent = xyzcen(3,iel) ! Z coordinate of the cell

  ! Temperature and density
  ! Dry or humid atmosphere
  if (ippmod(iatmos).ge.1) then
    temp = cpro_tempc(iel) + tkelvi
    dens = crom(iel)
    press = dens*rair*temp

    ! Constant density with a meteo file
  else if (imeteo.eq.1) then

    ! Hydrostatic pressure
    call intprf                                                   &
    !==========
   (nbmett, nbmetm,                                               &
    ztmet , tmmet, phmet, zent, ttcabs, press )

    ! Temperature
    call intprf                                                   &
    !==========
   (nbmett, nbmetm,                                               &
    ztmet , tmmet, ttmet, zent, ttcabs, temp )
    temp=temp+tkelvi
  endif

  ! Specific hymidity
  ! Humid atmosphere
  if (ippmod(iatmos).ge.2) then
    hspec = (cvar_totwt(iel)-cpro_liqwt(iel))    &
          / (1.d0-cpro_liqwt(iel))

  ! Constant density or dry atmosphere with a meteo file
  else if (imeteo.eq.1) then

    call intprf                                                   &
    !==========
   (nbmett, nbmetm,                                               &
    ztmet , tmmet, qvmet, zent, ttcabs, hspec )

  endif

  ! Call the computation of kinetic rates
  if (ichemistry.eq.1) then
    call kinetic_1(nrg,rk,temp,hspec,press,azi,1.0d0,iphotolysis)
  else if (ichemistry.eq.2) then
    call kinetic_2(nrg,rk,temp,hspec,press,azi,1.0d0,iphotolysis)
  else if (ichemistry.eq.3) then
    if (iaerosol.eq.1) then
      call kinetic_siream(nrg,rk,temp,hspec,press,azi,1.0d0,iphotolysis)
    else
      call kinetic_3(nrg,rk,temp,hspec,press,azi,1.0d0,iphotolysis)
    endif
  else if (ichemistry.eq.4) then
    call kinetic(nrg,rk,temp,hspec,press,azi,1.0d0,iphotolysis)
  endif

  ! Storage of kinetic rates
  do ii = 1, nrg
    reacnum((ii-1)*ncel+iel) = rk(ii)
  enddo

enddo

!--------
! FORMATS
!--------
!----
! END
!----

return
end subroutine kinrates