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!MNH_LIC Copyright 1994-2014 CNRS, Meteo-France and Universite Paul Sabatier
!MNH_LIC This is part of the Meso-NH software governed by the CeCILL-C licence
!MNH_LIC version 1. See LICENSE, CeCILL-C_V1-en.txt and CeCILL-C_V1-fr.txt
!MNH_LIC for details. version 1.
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!-----------------------------------------------------------------
!--------------- special set of characters for RCS information
!-----------------------------------------------------------------
! $Source$ $Revision$
! MASDEV4_7 chimie 2006/05/18 13:07:25
!-----------------------------------------------------------------
!! #####################
MODULE MODI_CH_EXQSSA
!! #####################
!!
!
INTERFACE
!!
SUBROUTINE CH_EXQSSA(PTSIMUL, PDTACT, PCONC, PNEWCONC, KEQ, KVECNPT, KMI, &
PSLOW, PFAST, PDTMAX)
IMPLICIT NONE
REAL, INTENT(IN) :: PTSIMUL ! time of simulation
REAL, INTENT(IN) :: PDTACT ! actual time-step
INTEGER, INTENT(IN) :: KEQ ! dimension of the problem to solve
INTEGER, INTENT(IN) :: KVECNPT
REAL, INTENT(IN), DIMENSION(KVECNPT,KEQ) :: PCONC
! concentration vector at PTSIMUL
REAL, INTENT(OUT), DIMENSION(KVECNPT,KEQ) :: PNEWCONC
! solution at PTSIMUL + PDTACT
INTEGER, INTENT(IN) :: KMI ! model number
! reac. rates, auxiliary variables
REAL, INTENT(IN) :: PSLOW, PFAST, PDTMAX
END SUBROUTINE CH_EXQSSA
!!
END INTERFACE
!!
END MODULE MODI_CH_EXQSSA
!! #########################################################################
SUBROUTINE CH_EXQSSA(PTSIMUL, PDTACT, PCONC, PNEWCONC, KEQ, KVECNPT, KMI, &
PSLOW, PFAST, PDTMAX)
!! #########################################################################
!!
!!*** *CH_EXQSSA*
!!
!! PURPOSE
!! -------
! solve one time-step of the chemical differential equation d/dt C = P - L*C
!!
!!** METHOD
!! ------
!! Quasy steady state approximation (EXQSSA):
!! C_n+1 = Q(C_n,h) = P_n / L_n + ( C_n - P_n / L_n ) exp( - L_n Dt)
!!
!! Extrapolation
!! C_n+1(h) = Q(C_n,h)
!! C_n+0.5(h/2)=Q(C_n,h/2)
!! C_n+1(h/2)=Q(C_n+0.5,h/2)
!! C_n+1 = 2 C_n+1(h/2) - C_n+1(h)
!!
!! REFERENCE
!! ---------
!! O. Hertel et al ,
!! Test of two Numerical schemes for use in atmospheric transport
!! chemistry models,
!! Atmospheric environment, 16, 2591--2611, 1993.
!!
!! A. Sandu et al
!! Benchmarking Stiff Ode Solvers For Atmospheric Chemistry Problems I:
!! Implicit versus Explicit
!! submitted to Atmospheric Environment 26/01/1996
!!
!! AUTHOR
!! ------
!! A. FASSI FIHRI *Laboratoire d'Aerologie*
!!
!! MODIFICATIONS
!! -------------
!! Original 13/02/96
!! 10/04/96 (K. Suhre) take out performance control statements
!! 31/07/96 (K. Suhre) restructured
!! 05/03/98 (V. Crassier) vectorized with fixed timestep
!! 31/03/99 (K. Suhre) change minor details (i.e. numerical pbs with
!! LOSS=0 species under Absoft and HP f90 compilers
!! and control of correct time stepping if user input
!! is uncorrect) and restructure
!! 01/08/01 (C. Mari) add PSLOW, PFAST, PDTMAX arguments
!! 01/12/03 (D. Gazen) change Chemical scheme interface
!!
!! EXTERNAL
!! --------
USE MODI_CH_PRODLOSS
!!
!! IMPLICIT ARGUMENTS
!! ------------------
!!
!------------------------------------------------------------------------------
!
!* 0. DECLARATIONS
! -----------------
IMPLICIT NONE
!
!* 0.1 declaration of arguments
!
REAL, INTENT(IN) :: PTSIMUL ! time of simulation
REAL, INTENT(IN) :: PDTACT ! actual time-step
INTEGER, INTENT(IN) :: KEQ ! dimension of the problem to solve
INTEGER, INTENT(IN) :: KVECNPT
REAL, INTENT(IN), DIMENSION(KVECNPT,KEQ) :: PCONC
! concentration vector at PTSIMUL
REAL, INTENT(OUT), DIMENSION(KVECNPT,KEQ) :: PNEWCONC
! solution at PTSIMUL + PDTACT
INTEGER, INTENT(IN) :: KMI ! model number
! reac. rates, auxiliary variables
REAL, INTENT(IN) :: PSLOW, PFAST, PDTMAX
!
!* 0.2 declaration of local variables
!
REAL, DIMENSION(KVECNPT,KEQ) :: ZCONC, ZPROD, ZLOSS
REAL, DIMENSION(KVECNPT,KEQ) :: ZCONC1, ZCONC2
REAL, DIMENSION(KVECNPT,KEQ) :: ZCONC1A, ZCONC2A
REAL, DIMENSION(KVECNPT,KEQ) :: ZCONC1B, ZCONC2B
REAL, DIMENSION(KVECNPT,KEQ) :: ZCONC1C, ZCONC2C
REAL, DIMENSION(KVECNPT,KEQ) :: ZTMP, ZRATIO
REAL :: ZTIME, ZSTEP
INTEGER :: JI
REAL, DIMENSION(KVECNPT,KEQ) :: ZA, ZB, ZC
REAL, PARAMETER :: ZEPS = 1E-14 ! to avoid division by zero
INTEGER :: IITER ! number of internal timesteps
!
!------------------------------------------------------------------------------
!
!* 1. INITIALIZE SOME VARIABLES
! -------------------------------
!
ZTIME = PTSIMUL
ZCONC = PCONC
IITER = MAX(1,INT(1.E-3+(PDTACT/PDTMAX)))
ZSTEP = PDTACT / IITER
!
!* 2. INTERATION LOOP
! --------------------
!
DO JI=1, IITER
!
!* 2.1 calculate production and loss terms
!
CALL CH_PRODLOSS(ZTIME,ZCONC,ZPROD,ZLOSS,KMI,KVECNPT,KEQ)
!
! elimiate negative loss rates that may be inherited from the transport scheme
!
ZLOSS(:,:) = MAX(0.,ZLOSS(:,:))
ZA(:,:) = 0.
ZB(:,:) = 0.
WHERE ( ZLOSS .LE. 1./(PSLOW*ZSTEP) ) ZA(:,:) = 1.
WHERE ( ZLOSS .GT. 1./(PFAST*ZSTEP) ) ZB(:,:) = 1.
ZC(:,:) = 1. - ZA(:,:) - ZB(:,:)
!
!* 2.2 first guess
!
! especes lentes ZLOSS<1./(PSLOW*ZSTEP)
! calcul des constantes multiplicatives
!***************************************
ZTMP(:,:) = ZSTEP*(ZPROD(:,:) - ZLOSS(:,:)*ZCONC(:,:))
ZCONC1A(:,:) = ZCONC(:,:) + ZTMP(:,:)
ZCONC2A(:,:) = ZCONC(:,:) + 0.5 * ZTMP(:,:)
! especes rapides ZLOSS>1./(PFAST*ZSTEP)
! calcul des constantes multiplicatives
!***************************************
ZCONC1B(:,:) = ZPROD(:,:) / MAX(ZEPS, ZLOSS(:,:))
ZCONC2B(:,:) = ZCONC1B(:,:)
! especes intermediaires
! calcul des constantes multiplicatives
!***************************************
ZRATIO(:,:) = ZPROD(:,:) / MAX(ZEPS, ZLOSS(:,:))
ZTMP(:,:) = EXP(-ZLOSS(:,:)*ZSTEP*0.5)
ZCONC1C(:,:) = ZTMP(:,:) * ZTMP(:,:) * ( ZCONC(:,:) - ZRATIO(:,:) ) &
+ ZRATIO(:,:)
ZCONC2C(:,:) = ZTMP(:,:) * ( ZCONC(:,:) - ZRATIO(:,:) ) + ZRATIO(:,:)
! calcul des concentrations intermediaires
!*****************************************
ZCONC1(:,:)= ZA(:,:)*ZCONC1A(:,:) &
+ ZB(:,:)*ZCONC1B(:,:) &
+ ZC(:,:)*ZCONC1C(:,:)
ZCONC2(:,:)= ZA(:,:)*ZCONC2A(:,:) &
+ ZB(:,:)*ZCONC2B(:,:) &
+ ZC(:,:)*ZCONC2C(:,:)
!
!* 2.3 calculate new production and loss terms
!
CALL CH_PRODLOSS(ZTIME+0.5*ZSTEP,ZCONC2,ZPROD,ZLOSS,KMI,KVECNPT,KEQ)
!
! elimiate negative loss rates that may be inherited from the transport scheme
!
ZLOSS(:,:) = MAX(0.,ZLOSS(:,:))
ZA(:,:) = 0.
ZB(:,:) = 0.
WHERE ( ZLOSS .LE. 1./(PSLOW*ZSTEP) ) ZA(:,:) = 1.
WHERE ( ZLOSS .GT. 1./(PFAST*ZSTEP) ) ZB(:,:) = 1.
ZC(:,:) = 1. - ZA(:,:) - ZB(:,:)
!
! especes lentes ZLOSS<1./(PSLOW*ZSTEP)
! calcul des constantes multiplicatives
!***************************************
ZTMP(:,:) = ZSTEP*(ZPROD(:,:) - ZLOSS(:,:)*ZCONC(:,:))
ZCONC2A(:,:) = ZCONC2(:,:) + 0.5 * ZTMP(:,:)
!
! especes rapides ZLOSS>1./(PFAST*ZSTEP)
! calcul des constantes multiplicatives
!***************************************
ZCONC2B(:,:) = ZPROD(:,:) / MAX(ZEPS, ZLOSS(:,:))
!
! especes intermediaires
! calcul des constantes multiplicatives
!***************************************
ZRATIO(:,:) = ZPROD(:,:) / MAX(ZEPS, ZLOSS(:,:))
ZTMP(:,:) = EXP(-ZLOSS(:,:)*ZSTEP*0.5)
ZCONC2C(:,:) = ZTMP(:,:) * ( ZCONC2(:,:) - ZRATIO(:,:) ) + ZRATIO(:,:)
! calcul des concentrations intermediaires
!*****************************************
ZCONC2(:,:) = ZA(:,:)*ZCONC2A(:,:) &
+ ZB(:,:)*ZCONC2B(:,:) &
+ ZC(:,:)*ZCONC2C(:,:)
! IF ZSTEP*ZLOSS < 1. --> A=1 else B=1
!*************************************
ZA(:,:) = 0.
WHERE ( (ZSTEP*ZLOSS) .LT. 1. ) ZA(:,:) = 1.
ZB(:,:) = 1. - ZA(:,:)
ZCONC(:,:) = ZA(:,:)*MAX(0.,2.*ZCONC2(:,:)-ZCONC1(:,:)) &
+ ZB(:,:)*MAX(0.,ZCONC2(:,:))
ZTIME=ZTIME+ZSTEP
ENDDO
!
PNEWCONC = ZCONC
!
END SUBROUTINE CH_EXQSSA