MODULE sulfate_aer_mod

! microphysical routines based on UPMC aerosol model by Slimane Bekki
! adapted for stratospheric sulfate aerosol in LMDZ by Christoph Kleinschmitt 

CONTAINS

!*******************************************************************
      SUBROUTINE STRACOMP_KELVIN(sh,t_seri,pplay)

!     Aerosol H2SO4 weight fraction as a function of PH2O and temperature
!     INPUT:
!     sh: MMR of H2O
!     t_seri: temperature (K)
!     pplay: middle layer pression (Pa)

!     Modified in modules:
!     R2SO4: aerosol H2SO4 weight fraction (percent)
!     R2SO4B: aerosol H2SO4 weight fraction (percent) for each aerosol bin
!     DENSO4: aerosol density (gr/cm3)
!     DENSO4B: aerosol density (gr/cm3)for each aerosol bin
!     f_r_wet: factor for converting dry to wet radius 
!        assuming 'flat surface' composition (does not depend on aerosol size)
!     f_r_wetB: factor for converting dry to wet radius 
!        assuming 'curved surface' composition (depends on aerosol size)
    
      USE dimphy, ONLY: klon,klev ! nb of longitude and altitude bands
      USE infotrac_phy, ONLY: nbtr_bin
      USE aerophys
      USE phys_local_var_mod, ONLY: R2SO4, R2SO4B, DENSO4, DENSO4B, f_r_wet, f_r_wetB
      USE strataer_local_var_mod, ONLY: RRSI
!     WARNING: in phys_local_var_mod R2SO4B, DENSO4B, f_r_wetB (klon,klev,nbtr_bin)
!          and dens_aer_dry must be declared somewhere
    
      IMPLICIT NONE
    
      REAL,DIMENSION(klon,klev),INTENT(IN)    :: t_seri  ! Temperature
      REAL,DIMENSION(klon,klev),INTENT(IN)    :: pplay   ! pression in the middle of each layer (Pa)
      REAL,DIMENSION(klon,klev),INTENT(IN)    :: sh      ! specific humidity (kg h2o/kg air)
      
!     local variables
      INTEGER         :: ilon,ilev,ik
      REAL, parameter :: rath2oair = mAIRmol/mH2Omol
      REAL, parameter :: third = 1./3.
      REAL            :: pph2ogas(klon,klev)
      REAL            :: temp, wpp, xa, surtens, mvh2o, radwet, fkelvin, pph2okel, r2so4ik, denso4ik
!----------------------------------------
  
!     gas-phase h2o partial pressure (Pa) 
!                                vmr=sh*rath2oair
      pph2ogas(:,:) = pplay(:,:)*sh(:,:)*rath2oair
    
      DO ilon=1,klon
      DO ilev=1,klev
          
        temp = max(t_seri(ilon,ilev),190.)
        temp = min(temp,300.)

!    ***   H2SO4-H2O flat surface ***
!!       equilibrium H2O pressure over pure flat liquid water (Pa)
!!        pflath2o=psh2o(temp)
!       h2so4 weight percent(%) = f(P_h2o(Pa),T)
        R2SO4(ilon,ilev)=wph2so4(pph2ogas(ilon,ilev),temp)  
!       h2so4 mass fraction (0<wpp<1)
        wpp=R2SO4(ilon,ilev)*1.e-2     
!       mole fraction
        xa=18.*wpp/(18.*wpp+98.*(1.-wpp))

!        CHECK:compare h2so4 sat/ pressure (see Marti et al., 97 & reef. therein)
!               R2SO4(ilon,ilev)=70.    temp=298.15
!        equilibrium h2so4 number density over H2SO4/H2O solution (molec/cm3)
!        include conversion from molec/cm3 to Pa
!        ph2so4=solh2so4(temp,xa)*(1.38065e-16*temp)/10.
!        PRINT*,' ph2so4=',ph2so4,temp,R2SO4(ilon,ilev)
!        good match with Martin, et Ayers, not with Gmitro (the famous 0.086)

!       surface tension (mN/m=1.e-3.kg/s2) = f(T,h2so4 mole fraction)
        surtens=surftension(temp,xa)
!       molar volume of pure h2o (cm3.mol-1 =1.e-6.m3.mol-1)
        mvh2o= rmvh2o(temp)
!       aerosol density (gr/cm3) = f(T,h2so4 mass fraction)
        DENSO4(ilon,ilev)=density(temp,wpp) 
!           ->x1000., to have it in kg/m3
!       factor for converting dry to wet radius
        f_r_wet(ilon,ilev) = (dens_aer_dry/(DENSO4(ilon,ilev)*1.e3)/ & 
      (R2SO4(ilon,ilev)*1.e-2))**third
!    ***   End of H2SO4-H2O flat surface ***


!          Loop on bin radius (RRSI in cm)
           DO IK=1,nbtr_bin 
 
!      ***   H2SO4-H2O curved surface - Kelvin effect factor ***
!            wet radius (m) (RRSI(IK) in [cm])
             IF (f_r_wetB(ilon,ilev,IK) > 1.0) THEN
               radwet = 1.e-2*RRSI(IK)*f_r_wetB(ilon,ilev,IK)
             else 
!              H2SO4-H2O flat surface, ONLY on the first timestep
               radwet = 1.e-2*RRSI(IK)*f_r_wet(ilon,ilev)
             endif
!            Kelvin factor: 
!            surface tension (mN/m=1.e-3.kg/s2) 
!            molar volume of pure h2o (cm3.mol-1 =1.e-6.m3.mol-1)
             fkelvin=exp( 2.*1.e-3*surtens*1.e-6*mvh2o/ (radwet*rgas*temp) )
!            equilibrium: pph2o(gas) = pph2o(liq) = pph2o(liq_flat) * fkelvin
!            equilibrium: pph2o(liq_flat) = pph2o(gas) / fkelvin
!            h2o liquid partial pressure before Kelvin effect (Pa)
             pph2okel = pph2ogas(ilon,ilev) / fkelvin
!            h2so4 weight percent(%) = f(P_h2o(Pa),temp)
             r2so4ik=wph2so4(pph2okel,temp)
!            h2so4 mass fraction (0<wpp<1)
             wpp=r2so4ik*1.e-2    
!            mole fraction
             xa=18.*wpp/(18.*wpp+98.*(1.-wpp)) 
!            aerosol density (gr/cm3) = f(T,h2so4 mass fraction)
             denso4ik=density(temp,wpp)

!            recalculate Kelvin factor with surface tension and radwet 
!                              with new R2SO4B and DENSO4B
             surtens=surftension(temp,xa)
!            wet radius (m)
             radwet = 1.e-2*RRSI(IK)*(dens_aer_dry/(denso4ik*1.e3)/ & 
      (r2so4ik*1.e-2))**third
             fkelvin=exp( 2.*1.e-3*surtens*1.e-6*mvh2o / (radwet*rgas*temp) ) 
             pph2okel=pph2ogas(ilon,ilev) / fkelvin
!            h2so4 weight percent(%) = f(P_h2o(Pa),temp)
             R2SO4B(ilon,ilev,IK)=wph2so4(pph2okel,temp)
!            h2so4 mass fraction (0<wpp<1)
             wpp=R2SO4B(ilon,ilev,IK)*1.e-2    
             xa=18.*wpp/(18.*wpp+98.*(1.-wpp)) 
!            aerosol density (gr/cm3) = f(T,h2so4 mass fraction)
             DENSO4B(ilon,ilev,IK)=density(temp,wpp)
!            factor for converting dry to wet radius
             f_r_wetB(ilon,ilev,IK) = (dens_aer_dry/(DENSO4B(ilon,ilev,IK)*1.e3)/ & 
      (R2SO4B(ilon,ilev,IK)*1.e-2))**third

!             PRINT*,'R,Rwet(m),kelvin,h2so4(%),ro=',RRSI(ik),radwet,fkelvin, &
!              &  R2SO4B(ilon,ilev,IK),DENSO4B(ilon,ilev,IK)
!             PRINT*,' equil.h2so4(molec/cm3), &
!              & sigma',solh2so4(temp,xa),surftension(temp,xa)

           ENDDO

      ENDDO
      ENDDO


    
  END SUBROUTINE STRACOMP_KELVIN
!********************************************************************
    SUBROUTINE STRACOMP(sh,t_seri,pplay)

!   AEROSOL H2SO4 WEIGHT FRACTION AS A FUNCTION OF PH2O AND TEMPERATURE
!   ----------------------------------------------------------------
!   INPUT: 
!   H2O: VMR of H2O
!   t_seri: temperature (K)
!   PMB: pressure (mb)
!   klon: number of latitude bands in the model domain
!   klev: number of altitude bands in the model domain
!   for IFS: perhaps add another dimension for longitude

!   OUTPUT: 
!   R2SO4: aerosol H2SO4 weight fraction (percent)
 
    USE dimphy, ONLY: klon,klev
    USE aerophys
    USE phys_local_var_mod, ONLY: R2SO4

    IMPLICIT NONE

    REAL,DIMENSION(klon,klev),INTENT(IN)          :: t_seri  ! Temperature
    REAL,DIMENSION(klon,klev),INTENT(IN)          :: pplay   ! pression pour le mileu de chaque couche (en Pa)
    REAL,DIMENSION(klon,klev),INTENT(IN)          :: sh      ! humidite specifique
     
    REAL PMB(klon,klev), H2O(klon,klev)

!   working variables
    INTEGER I,J,K
    REAL TP, PH2O, VAL, A, B
!     local variables to be saved on exit
    INTEGER INSTEP
    INTEGER, PARAMETER :: N=16, M=28
    DATA INSTEP/0/
    REAL F(N,M)
    REAL XC(N)
    REAL YC(M)
    REAL XC1, XC16, YC1, YC28

    SAVE INSTEP,F,XC,YC,XC1,XC16,YC1,YC28
!$OMP THREADPRIVATE(INSTEP,F,XC,YC,XC1,XC16,YC1,YC28)

! convert pplay (in Pa) to PMB (in mb)
    PMB(:,:)=pplay(:,:)/100.0

! convert specific humidity sh (in kg/kg) to VMR H2O
    H2O(:,:)=sh(:,:)*mAIRmol/mH2Omol

    IF(INSTEP==0) THEN
    
       INSTEP=1
       XC(1)=0.01
       XC(2)=0.1
       XC(3)=0.5
       XC(4)=1.0
       XC(5)=1.5
       XC(6)=2.0
       XC(7)=3.0
       XC(8)=5.0
       XC(9)=6.0
       XC(10)=8.0
       XC(11)=10.0
       XC(12)=12.0
       XC(13)=15.0
       XC(14)=20.0
       XC(15)=30.0
       XC(16)=100.0

       YC(1)=175.0
       DO I=2,28
         YC(I)=YC(I-1)+5.0
       ENDDO

!      CONVERSION mb IN 1.0E-4mB
       DO I=1,16
         XC(I)=XC(I)*1.0E-4
       ENDDO

       XC1=XC(1)+1.E-10
       XC16=XC(16)-1.E-8
       YC1=YC(1)+1.E-5
       YC28=YC(28)-1.E-5

       F(6,4)=43.45
       F(6,5)=53.96
       F(6,6)=60.62
       F(6,7)=65.57
       F(6,8)=69.42
       F(6,9)=72.56
       F(6,10)=75.17
       F(6,11)=77.38
       F(6,12)=79.3
       F(6,13)=80.99
       F(6,14)=82.5
       F(6,15)=83.92
       F(6,16)=85.32
       F(6,17)=86.79
       F(6,18)=88.32

!      ADD FACTOR  BECAUSE THE SLOP IS TOO IMPORTANT
!      NOT FOR THIS ONE BUT THE REST
!      LOG DOESN'T WORK
       A=(F(6,5)-F(6,4))/( (YC(5)-YC(4))*2.0)
       B=-A*YC(4) + F(6,4)
       F(6,1)=A*YC(1) + B
       F(6,2)=A*YC(2) + B
       F(6,3)=A*YC(3) + B

       F(7,4)=37.02
       F(7,5)=49.46
       F(7,6)=57.51
       F(7,7)=63.12
       F(7,8)=67.42
       F(7,9)=70.85
       F(7,10)=73.70
       F(7,11)=76.09
       F(7,12)=78.15
       F(7,13)=79.96
       F(7,14)=81.56
       F(7,15)=83.02
       F(7,16)=84.43
       F(7,17)=85.85
       F(7,18)=87.33

       A=(F(7,5)-F(7,4))/( (YC(5)-YC(4))*2.0)
       B=-A*YC(4) + F(7,4)
       F(7,1)=A*YC(1) + B
       F(7,2)=A*YC(2) + B
       F(7,3)=A*YC(3) + B

       F(8,4)=25.85
       F(8,5)=42.26
       F(8,6)=52.78
       F(8,7)=59.55
       F(8,8)=64.55
       F(8,9)=68.45
       F(8,10)=71.63
       F(8,11)=74.29
       F(8,12)=76.56
       F(8,13)=78.53
       F(8,14)=80.27
       F(8,15)=81.83
       F(8,16)=83.27
       F(8,17)=84.67
       F(8,18)=86.10

       A=(F(8,5)-F(8,4))/( (YC(5)-YC(4))*2.5 )
       B=-A*YC(4) + F(8,4)
       F(8,1)=A*YC(1) + B
       F(8,2)=A*YC(2) + B
       F(8,3)=A*YC(3) + B

       F(9,4)=15.38
       F(9,5)=39.35
       F(9,6)=50.73
       F(9,7)=58.11
       F(9,8)=63.41
       F(9,9)=67.52
       F(9,10)=70.83
       F(9,11)=73.6
       F(9,12)=75.95
       F(9,13)=77.98
       F(9,14)=79.77
       F(9,15)=81.38
       F(9,16)=82.84
       F(9,17)=84.25
       F(9,18)=85.66

       A=(F(9,5)-F(9,4))/( (YC(5)-YC(4))*7.0)
       B=-A*YC(4) + F(9,4)
       F(9,1)=A*YC(1) + B
       F(9,2)=A*YC(2) + B
       F(9,3)=A*YC(3) + B

       F(10,4)=0.0
       F(10,5)=34.02
       F(10,6)=46.93
       F(10,7)=55.61
       F(10,8)=61.47
       F(10,9)=65.94
       F(10,10)=69.49
       F(10,11)=72.44
       F(10,12)=74.93
       F(10,13)=77.08
       F(10,14)=78.96
       F(10,15)=80.63
       F(10,16)=82.15
       F(10,17)=83.57
       F(10,18)=84.97

       A=(F(10,6)-F(10,5))/( (YC(6)-YC(5))*1.5)
       B=-A*YC(5) + F(10,5)
       F(10,1)=A*YC(1) + B
       F(10,2)=A*YC(2) + B
       F(10,3)=A*YC(3) + B
       F(10,4)=A*YC(4) + B

       F(11,4)=0.0
       F(11,5)=29.02
       F(11,6)=43.69
       F(11,7)=53.44
       F(11,8)=59.83
       F(11,9)=64.62
       F(11,10)=68.39
       F(11,11)=71.48
       F(11,12)=74.10
       F(11,13)=76.33
       F(11,14)=78.29
       F(11,15)=80.02
       F(11,16)=81.58
       F(11,17)=83.03
       F(11,18)=84.44

       A=(F(11,6)-F(11,5))/( (YC(6)-YC(5))*2.5 )
       B=-A*YC(5) + F(11,5)
       F(11,1)=A*YC(1) + B
       F(11,2)=A*YC(2) + B
       F(11,3)=A*YC(3) + B
       F(11,4)=A*YC(4) + B

       F(12,4)=0.0
       F(12,5)=23.13
       F(12,6)=40.86
       F(12,7)=51.44
       F(12,8)=58.38
       F(12,9)=63.47
       F(12,10)=67.43
       F(12,11)=70.66
       F(12,12)=73.38
       F(12,13)=75.70
       F(12,14)=77.72
       F(12,15)=79.51
       F(12,16)=81.11
       F(12,17)=82.58
       F(12,18)=83.99

       A=(F(12,6)-F(12,5))/( (YC(6)-YC(5))*3.5 )
       B=-A*YC(5) + F(12,5)
       F(12,1)=A*YC(1) + B
       F(12,2)=A*YC(2) + B
       F(12,3)=A*YC(3) + B
       F(12,4)=A*YC(4) + B

       F(13,4)=0.0
       F(13,5)=0.0
       F(13,6)=36.89
       F(13,7)=48.63
       F(13,8)=56.46
       F(13,9)=61.96
       F(13,10)=66.19
       F(13,11)=69.6
       F(13,12)=72.45
       F(13,13)=74.89
       F(13,14)=76.99
       F(13,15)=78.85
       F(13,16)=80.50
       F(13,17)=82.02
       F(13,18)=83.44

       A=(F(13,7)-F(13,6))/( (YC(7)-YC(6))*2.0)
       B=-A*YC(6) + F(13,6)
       F(13,1)=A*YC(1) + B
       F(13,2)=A*YC(2) + B
       F(13,3)=A*YC(3) + B
       F(13,4)=A*YC(4) + B
       F(13,5)=A*YC(5) + B

       F(14,4)=0.0
       F(14,5)=0.0
       F(14,6)=30.82
       F(14,7)=44.49
       F(14,8)=53.69
       F(14,9)=59.83
       F(14,10)=64.47
       F(14,11)=68.15
       F(14,12)=71.19
       F(14,13)=73.77
       F(14,14)=76.0
       F(14,15)=77.95
       F(14,16)=79.69
       F(14,17)=81.26
       F(14,18)=82.72

       A=(F(14,7)-F(14,6))/( (YC(7)-YC(6))*2.5 )
       B=-A*YC(6) + F(14,6)
       F(14,1)=A*YC(1) + B
       F(14,2)=A*YC(2) + B
       F(14,3)=A*YC(3) + B
       F(14,4)=A*YC(4) + B
       F(14,5)=A*YC(5) + B

       F(15,4)=0.0
       F(15,5)=0.0
       F(15,6)=0.0
       F(15,7)=37.71
       F(15,8)=48.49
       F(15,9)=56.40
       F(15,10)=61.75
       F(15,11)=65.89
       F(15,12)=69.25
       F(15,13)=72.07
       F(15,14)=74.49
       F(15,15)=76.59
       F(15,16)=78.45
       F(15,17)=80.12
       F(15,18)=81.64

       A=(F(15,8)-F(15,7))/( (YC(8)-YC(7))*1.5)
       B=-A*YC(7) + F(15,7)
       F(15,1)=A*YC(1) + B
       F(15,2)=A*YC(2) + B
       F(15,3)=A*YC(3) + B
       F(15,4)=A*YC(4) + B
       F(15,5)=A*YC(5) + B
       F(15,6)=A*YC(6) + B

!      SUPPOSE THAT AT GIVEN  AND PH2O<2mB,
!      %H2SO4 = A *LOG(PH2O) +B
!      XC(1-5) :EXTENSION LEFT (LOW H2O)
       DO J=1,18
         A=(F(6,J)-F(7,J))/(LOG(XC(6))-LOG(XC(7)))
         B=-A*LOG(XC(6)) + F(6,J)
         DO K=1,5
           F(K,J)=A*LOG(XC(K)) + B
         ENDDO
       ENDDO

!      XC(16) :EXTENSION RIGHT (HIGH H2O)
       DO J=1,18
         A=(F(15,J)-F(14,J))/(XC(15)-XC(14))
         B=-A*XC(15) + F(15,J)
       F(16,J)=A*XC(16) + B
!       F(16,2)=1.0
       ENDDO

!      YC(16-25) :EXTENSION DOWN (HIGH T)
       DO I=1,16
         A=(F(I,18)-F(I,17))/(YC(18)-YC(17))
         B=-A*YC(18) + F(I,18)
         DO K=19,28
         F(I,K)=A*YC(K) + B
         ENDDO
       ENDDO

!      MANUAL CORRECTIONS
       DO J=1,10
       F(1,J)=94.0
       ENDDO

       DO J=1,6
       F(2,J)=77.0 +REAL(J)
       ENDDO

       DO J=1,7
       F(16,J)=9.0
       ENDDO

       DO I=1,16
       DO J=1,28
         IF (F(I,J)<9.0)  F(I,J)=30.0
         IF (F(I,J)>99.99) F(I,J)=99.99
       ENDDO
       ENDDO
      
    ENDIF

    DO I=1,klon
    DO J=1,klev
        TP=t_seri(I,J)
        IF (TP<175.1) TP=175.1
!    Partial pressure of H2O (mb)
        PH2O =PMB(I,J)*H2O(I,J)
        IF (PH2O<XC1) THEN
          R2SO4(I,J)=99.99
!          PH2O=XC(1)+1.0E-10
        ELSE 
          IF (PH2O>XC16) PH2O=XC16
!         SIMPLE LINEAR INTERPOLATIONS
          CALL FIND(PH2O,TP,XC,YC,F,VAL,N,M)
          IF (PMB(I,J)>=10.0.AND.VAL<60.0) VAL=60.0
          R2SO4(I,J)=VAL
        ENDIF
    ENDDO
    ENDDO

    END SUBROUTINE

!****************************************************************
    SUBROUTINE STRAACT(ACTSO4)

!   H2SO4 ACTIVITY (GIAUQUE) AS A FUNCTION OF H2SO4 WP
!   ----------------------------------------
!   INPUT: 
!   H2SO4: VMR of H2SO4
!   klon: number of latitude bands in the model domain
!   klev: number of altitude bands in the model domain
!   for IFS: perhaps add another dimension for longitude

!   OUTPUT: 
!   ACTSO4: H2SO4 activity (percent)
 
    USE dimphy, ONLY: klon,klev
    USE phys_local_var_mod, ONLY: R2SO4

    IMPLICIT NONE
     
    REAL ACTSO4(klon,klev)
   
!   Working variables         
    INTEGER NN,I,J,JX,JX1
    REAL TC,TB,TA,XT
    PARAMETER (NN=109)
    REAL XC(NN),  X(NN)

!   H2SO4 activity 
    DATA X/ & 
     0.0,0.25,0.78,1.437,2.19,3.07,4.03,5.04,6.08 &
    ,7.13,8.18,14.33,18.59,28.59,39.17,49.49 &
    ,102.4,157.8,215.7,276.9,341.6,409.8,481.5,556.6 &
    ,635.5,719.,808.,902.,1000.,1103.,1211.,1322.,1437.,1555. &
    ,1677.,1800.,1926.,2054.,2183.,2312.,2442.,2572.,2701.,2829. &
    ,2955.,3080.,3203.,3325.,3446.,3564.,3681.,3796.,3910.,4022. &
    ,4134.,4351.,4564.,4771.,4974.,5171.,5364.,5551.,5732.,5908. &
    ,6079.,6244.,6404.,6559.,6709.,6854.,6994.,7131.,7264.,7393. &
    ,7520.,7821.,8105.,8373.,8627.,8867.,9093.,9308.,9511.,9703. &
    ,9885.,10060.,10225.,10535.,10819.,11079.,11318.,11537. &
    ,11740.,12097.,12407.,12676.,12915.,13126.,13564.,13910. &
    ,14191.,14423.,14617.,14786.,10568.,15299.,15491.,15654. &
    ,15811./
!   H2SO4 weight fraction (percent)
    DATA XC/ & 
     100.0,99.982,99.963,99.945,99.927,99.908,99.890,99.872 &
    ,99.853,99.835,99.817,99.725,99.634,99.452,99.270 &
    ,99.090,98.196,97.319,96.457,95.610,94.777,93.959,93.156 &
    ,92.365,91.588,90.824,90.073,89.334,88.607,87.892,87.188 &
    ,86.495,85.814,85.143,84.482,83.832,83.191,82.560,81.939 &
    ,81.327,80.724,80.130,79.545,78.968,78.399,77.839,77.286 &
    ,76.741,76.204,75.675,75.152,74.637,74.129,73.628,73.133 &
    ,72.164,71.220,70.300,69.404,68.530,67.678,66.847,66.037 &
    ,65.245,64.472,63.718,62.981,62.261,61.557,60.868,60.195 &
    ,59.537,58.893,58.263,57.646,56.159,54.747,53.405,52.126 &
    ,50.908,49.745,48.634,47.572,46.555,45.580,44.646,43.749 &
    ,42.059,40.495,39.043,37.691,36.430,35.251,33.107,31.209 &
    ,29.517,27.999,26.629,23.728,21.397,19.482,17.882,16.525 &
    ,15.360,13.461,11.980,10.792,9.819,8.932/

    DO I=1,klon
    DO J=1,klev
!     HERE LINEAR INTERPOLATIONS
        XT=R2SO4(I,J)
        CALL POSACT(XT,XC,NN,JX)
        JX1=JX+1
        IF(JX==0) THEN
          ACTSO4(I,J)=0.0 
        ELSE IF(JX>=NN) THEN
          ACTSO4(I,J)=15811.0 
        ELSE 
          TC=XT            -XC(JX)
          TB=X(JX1)        -X(JX)
          TA=XC(JX1)       -XC(JX)
          TA=TB/TA
          ACTSO4(I,J)=X(JX)  + TA*TC
        ENDIF
    ENDDO
    ENDDO

    END SUBROUTINE
  
!****************************************************************
    SUBROUTINE DENH2SA(t_seri)

!   AERSOL DENSITY AS A FUNCTION OF H2SO4 WEIGHT PERCENT AND T
!   ---------------------------------------------
!   VERY ROUGH APPROXIMATION (SEE FOR WATER IN HANDBOOK
!   LINEAR 2% FOR 30 DEGREES with RESPECT TO WATER)

!   INPUT: 
!   R2SO4: aerosol H2SO4 weight fraction (percent)
!   t_seri: temperature (K)
!   klon: number of latitude bands in the model domain
!   klev: number of altitude bands in the model domain
!   for IFS: perhaps add another dimension for longitude

!   OUTPUT: 
!   DENSO4: aerosol mass density (gr/cm3 = aerosol mass/aerosol volume)

    USE dimphy, ONLY: klon,klev
    USE phys_local_var_mod, ONLY: R2SO4, DENSO4

    IMPLICIT NONE

    REAL,DIMENSION(klon,klev),INTENT(IN)   :: t_seri  ! Temperature
        
    INTEGER I,J

!   Loop on model domain (2 dimension for UPMC model; 3 for IFS)
    DO I=1,klon
    DO J=1,klev
!     RO AT 20C
      DENSO4(I,J)=0.78681252E-5*R2SO4(I,J)*R2SO4(I,J)+ 0.82185978E-2*R2SO4(I,J)+0.97968381
      DENSO4(I,J)=DENSO4(I,J)* ( 1.0 - (t_seri(I,J)-293.0)*0.02/30.0 )
    ENDDO
    ENDDO

    END SUBROUTINE

!***********************************************************
    SUBROUTINE FIND(X,Y,XC,YC,F,VAL,N,M)

!   BI-LINEAR INTERPOLATION

!   INPUT: 
!   X: Partial pressure of H2O (mb)
!   Y: temperature (K)
!   XC: Table partial pressure of H2O (mb)
!   YC: Table temperature (K)
!   F: Table aerosol H2SO4 weight fraction=f(XC,YC) (percent)

!   OUTPUT: 
!   VAL: aerosol H2SO4 weight fraction (percent)
 
    IMPLICIT NONE
   
    INTEGER N,M
    REAL X,Y,XC(N),YC(M),F(N,M),VAL

!   working variables
    INTEGER  IERX,IERY,JX,JY,JXP1,JYP1
    REAL SXY,SX1Y,SX1Y1,SXY1,TA,TB,T,UA,UB,U

    IERX=0
    IERY=0
    CALL POSITION(XC,X,N,JX,IERX)
    CALL POSITION(YC,Y,M,JY,IERY)

    IF(JX==0.OR.IERY==1) THEN
       VAL=99.99
       RETURN
    ENDIF

    IF(JY==0.OR.IERX==1) THEN
       VAL=9.0
       RETURN
    ENDIF

    JXP1=JX+1
    JYP1=JY+1
    SXY=F(JX,  JY  )
    SX1Y=F(JXP1,JY  )
    SX1Y1=F(JXP1,JYP1)
    SXY1=F(JX,  JYP1)

!   x-slope.
    TA=X       -XC(JX)
    TB=XC(JXP1)-XC(JX)
    T=TA/TB

!   y-slope.
    UA=Y       -YC(JY)
    UB=YC(JYP1)-YC(JY)
    U=UA/UB

!   Use bilinear interpolation to determine function at point X,Y.
    VAL=(1.-T)*(1.-U)*SXY + T*(1.0-U)*SX1Y + T*U*SX1Y1 + (1.0-T)*U*SXY1

    IF(VAL<9.0) VAL=9.0
    IF(VAL>99.99) VAL=99.99
   

    END SUBROUTINE
!****************************************************************
       SUBROUTINE POSITION(XC,X,N,JX,IER)
 
       IMPLICIT NONE
   
       INTEGER N,JX,IER,I
       REAL X,XC(N)

       IER=0
       IF(X<XC(1)) THEN
         JX=0
       ELSE
         DO I=1,N
           IF (X<XC(I)) GO TO 20
         END DO
         IER=1
 20      JX=I-1
       ENDIF


       END SUBROUTINE
!********************************************************************
       SUBROUTINE POSACT(XT,X,N,JX)
   
!      POSITION OF XT IN THE ARRAY X
!    -----------------------------------------------
   
       IMPLICIT NONE
   
       INTEGER N
       REAL XT,X(N)
!      Working variables
       INTEGER JX,I
  
       IF(XT>X(1)) THEN
         JX=0
       ELSE
         DO I=1,N
           IF (XT>X(I)) GO TO 20
         END DO
 20      JX=I
       ENDIF
   

       END SUBROUTINE
!********************************************************************
!-----------------------------------------------------------------------
      REAL function psh2so4(T) result(psh2so4_out)
!     equilibrium H2SO4 pressure over pure H2SO4 solution (Pa)

!---->Ayers et.al. (1980), GRL (7) pp 433-436
!     plus corrections for lower temperatures by Kulmala and Laaksonen (1990)
!     and Noppel et al. (1990)

      IMPLICIT NONE
      REAL, INTENT(IN) :: T
      REAL, parameter ::      &
    b1=1.01325e5, &
    b2=11.5,  &
    b3=1.0156e4,  &
    b4=0.38/545., &
    tref=360.15

!     saturation vapor pressure ( N/m2 = Pa = kg/(m.s2) )
      psh2so4_out=b1*exp(  -b2 +b3*( 1./tref-1./T  &
    +b4*(1.+log(tref/T)-tref/T) )   )


    END FUNCTION psh2so4
!-----------------------------------------------------------------------
    REAL function ndsh2so4(T) result(ndsh2so4_out)
!     equilibrium H2SO4 number density over pure H2SO4 (molec/cm3)

      IMPLICIT NONE
      REAL, INTENT(IN) :: T
      REAL :: presat

!     Boltzmann constant ( 1.38065e-23 J/K = m2⋅kg/(s2⋅K) )
!      akb idem in cm2⋅g/(s2⋅K) 
      REAL, parameter :: akb=1.38065e-16

!     pure h2so4 saturation vapor pressure (Pa)
      presat=psh2so4(T)
!     saturation number density (1/cm3) - (molec/cm3)
      ndsh2so4_out=presat*10./(akb*T)


     END FUNCTION ndsh2so4
!-----------------------------------------------------------------------
     REAL function psh2o(T) result(psh2o_out)
!     equilibrium H2O pressure over pure liquid water (Pa)

      IMPLICIT NONE
      REAL, INTENT(IN) :: T

      IF(T>229.) THEN
!        Preining et al., 1981 (from Kulmala et al., 1998)
!        saturation vapor pressure (N/m2 = 1 Pa = 1 kg/(m·s2))
         psh2o_out=exp( 77.34491296  -7235.424651/T &
                   -8.2*log(T) + 5.7133e-3*T )
      else
!        Tabazadeh et al., 1997, parameterization for 185<T<260
!        saturation water vapor partial pressure (mb = hPa =1.E2 kg/(m·s2))
!        or from Clegg and Brimblecombe , J. Chem. Eng., p43, 1995.
;
         psh2o_out=18.452406985 -3505.1578807/T &
      -330918.55082/(T*T)             &
      +12725068.262/(T*T*T)
!        in Pa
         psh2o_out=100.*exp(psh2o_out)
      end if
!      PRINT*,psh2o_out
      

     END FUNCTION psh2o
!-----------------------------------------------------------------------
     REAL function density(T,so4mfrac) result(density_out)
!        calculation of particle density (gr/cm3)

!        requires Temperature (T) and acid mass fraction (so4mfrac)
!---->Vehkamaeki et al. (2002)

      IMPLICIT NONE
      REAL, INTENT(IN) :: T, so4mfrac
      REAL, parameter :: &
        a1= 0.7681724,&
        a2= 2.184714, &
        a3= 7.163002, &
        a4=-44.31447, &
        a5= 88.74606, &
        a6=-75.73729, &
        a7= 23.43228
      REAL, parameter :: &
        b1= 1.808225e-3, &
        b2=-9.294656e-3, &
        b3=-3.742148e-2, &
        b4= 2.565321e-1, &
        b5=-5.362872e-1, &
        b6= 4.857736e-1, &
        b7=-1.629592e-1
      REAL, parameter :: &
        c1=-3.478524e-6, &
        c2= 1.335867e-5, &
        c3= 5.195706e-5, &
        c4=-3.717636e-4, &
        c5= 7.990811e-4, &
        c6=-7.458060e-4, &
        c7= 2.581390e-4
      REAL :: a,b,c,so4m2,so4m3,so4m4,so4m5,so4m6
      
      so4m2=so4mfrac*so4mfrac
      so4m3=so4mfrac*so4m2
      so4m4=so4mfrac*so4m3
      so4m5=so4mfrac*so4m4
      so4m6=so4mfrac*so4m5

      a=+a1+a2*so4mfrac+a3*so4m2+a4*so4m3 &
       +a5*so4m4+a6*so4m5+a7*so4m6
      b=+b1+b2*so4mfrac+b3*so4m2+b4*so4m3 &
       +b5*so4m4+b6*so4m5+b7*so4m6
      c=+c1+c2*so4mfrac+c3*so4m2+c4*so4m3 &
       +c5*so4m4+c6*so4m5+c7*so4m6
      density_out=(a+b*T+c*T*T) ! units are gm/cm**3


     END FUNCTION density
!-----------------------------------------------------------------------
     REAL function surftension(T,so4frac) result(surftension_out)
!        calculation of surface tension (mN/meter)
!        requires Temperature (T) and acid mole fraction (so4frac)
!---->Vehkamaeki et al. (2002)

      IMPLICIT NONE
      REAL,INTENT(IN) :: T, so4frac
      REAL :: a,b,so4mfrac,so4m2,so4m3,so4m4,so4m5,so4sig
      REAL, parameter :: &
       a1= 0.11864, &
       a2=-0.11651, &
       a3= 0.76852, &
       a4=-2.40909, &
       a5= 2.95434, &
       a6=-1.25852
      REAL, parameter :: &
       b1=-1.5709e-4, &
       b2= 4.0102e-4, &
       b3=-2.3995e-3, &
       b4= 7.611235e-3, &
       b5=-9.37386e-3, &
       b6= 3.89722e-3
      REAL, parameter :: convfac=1.e3  ! convert from newton/m to dyne/cm
      REAL, parameter :: Mw=18.01528, Ma=98.079

!     so4 mass fraction
      so4mfrac=Ma*so4frac/( Ma*so4frac+Mw*(1.-so4frac) )
      so4m2=so4mfrac*so4mfrac
      so4m3=so4mfrac*so4m2
      so4m4=so4mfrac*so4m3
      so4m5=so4mfrac*so4m4

      a=+a1+a2*so4mfrac+a3*so4m2+a4*so4m3+a5*so4m4+a6*so4m5
      b=+b1+b2*so4mfrac+b3*so4m2+b4*so4m3+b5*so4m4+b6*so4m5
      so4sig=a+b*T
      surftension_out=so4sig*convfac


     END FUNCTION surftension
!-----------------------------------------------------------------------
     REAL function wph2so4(pph2o,T) result(wph2so4_out)
!     Calculates the equilibrium composition of h2so4 aerosols
!     as a function of temperature and  H2O pressure, using
!     the parameterization of Tabazadeh et al., GRL, p1931, 1997.

!   Parameters

!    input:
!      T.....temperature (K)
!      pph2o..... amhbiant 2o pressure (Pa)

!    output:
!      wph2so4......sulfuric acid composition (weight percent wt % h2so4)
!                     = h2so4 mass fraction*100.

      IMPLICIT NONE
      REAL, INTENT(IN) :: pph2o, T
      
      REAL :: aw, rh, y1, y2, sulfmolal
  
!       psh2o(T): equilibrium H2O pressure over pure liquid water (Pa)
!       relative humidity 
        rh=pph2o/psh2o(T)
!       water activity
!        aw=min( 0.999,max(1.e-3,rh) )
        aw=min( 0.999999999,max(1.e-8,rh) ) 

!       composition
!       calculation of h2so4 molality
            IF(aw <= 0.05 .AND. aw > 0.) THEN
               y1=12.372089320*aw**(-0.16125516114) &
    -30.490657554*aw -2.1133114241
               y2=13.455394705*aw**(-0.19213122550) &
    -34.285174607*aw -1.7620073078
            else IF(aw <= 0.85 .AND. aw > 0.05) THEN
               y1=11.820654354*aw**(-0.20786404244) &
    -4.8073063730*aw -5.1727540348
               y2=12.891938068*aw**(-0.23233847708) &
    -6.4261237757*aw -4.9005471319
            else
               y1=-180.06541028*aw**(-0.38601102592) &
    -93.317846778*aw +273.88132245
               y2=-176.95814097*aw**(-0.36257048154) &
    -90.469744201*aw +267.45509988
            end if
!        h2so4 molality (m=moles of h2so4 (solute)/ kg of h2o(solvent))
         sulfmolal = y1+((T-190.)*(y2-y1)/70.)

!        for a solution containing mh2so4 and mh2o: 
!        sulfmolal = (mh2so4(gr)/h2so4_molar_mass(gr/mole)) / (mh2o(gr)*1.e-3)
!        mh2o=1.e3*(mh2so4/Mh2so4)/sulfmolal=1.e3*mh2so4/(Mh2so4*sulfmolal)
!        h2so4_mass_fraction = mfh2so4 = mh2so4/(mh2o + mh2so4)
!        mh2o=mh2so4*(1-mfh2so4)/mfh2so4
!        combining the 2 equations
!        1.e3*mh2so4/(Mh2so4*sulfmolal) = mh2so4*(1-mfh2so4)/mfh2so4
!        1.e3/(Mh2so4*sulfmolal) = (1-mfh2so4)/mfh2so4
!        1000*mfh2so4 = (1-mfh2so4)*Mh2so4*sulfmolal
!        mfh2so4*(1000.+Mh2so4*sulfmolal) = Mh2so4*sulfmolal
!        mfh2so4 = Mh2so4*sulfmolal / (1000.+Mh2so4*sulfmolal) 
!        wph2so4 (% mass fraction)= 100.*Mh2so4*sulfmolal / (1000.+Mh2so4*sulfmolal) 
!        reCALL activity of i = a_i = P_i/P_pure_i and
!          activity coefficient of i = gamma_i = a_i/X_i (X_i: mole fraction of i)
!        so  P_i = gamma_i*X_i*P_pure_i
!        if ideal solution, gamma_i=1, P_i = X_i*P_pure_i

!        h2so4 weight precent
         wph2so4_out = 9800.*sulfmolal/(98.*sulfmolal+1000.)
!         PRINT*,rh,pph2o,psh2o(T),vpice(T)
!         PRINT*,T,aw,sulfmolal,wph2so4_out
         wph2so4_out = max(wph2so4_out,15.)
         wph2so4_out = min(wph2so4_out,99.999)


     END FUNCTION wph2so4
!-----------------------------------------------------------------------
     REAL function solh2so4(T,xa) result(solh2so4_out)
!     equilibrium h2so4 number density over H2SO4/H2O solution (molec/cm3)

      IMPLICIT NONE
      REAL, INTENT(IN) :: T, xa       ! T(K)  xa(H2SO4 mass fraction)
      
      REAL :: xw, a12,b12, cacta, presat
      
      xw=1.0-xa

!     pure h2so4 saturation number density (molec/cm3)
      presat=ndsh2so4(T)
!     compute activity of acid 
      a12=5.672E3 -4.074E6/T +4.421E8/(T*T)
      b12=1./0.527
      cacta=10.**(a12*xw*xw/(xw+b12*xa)**2/T)
!     h2so4 saturation number density over H2SO4/H2O solution (molec/cm3)
      solh2so4_out=cacta*xa*presat


     END FUNCTION solh2so4
!-----------------------------------------------------------------------      
     REAL function rpmvh2so4(T,ws) result(rpmvh2so4_out)
!     partial molar volume of h2so4 in h2so4/h2o solution (cm3/mole)

      IMPLICIT NONE
      REAL, INTENT(IN) :: T, ws
      REAL, DIMENSION(22),parameter :: x=(/  &
   2.393284E-02,-4.359335E-05,7.961181E-08,0.0,-0.198716351, &
   1.39564574E-03,-2.020633E-06,0.51684706,-3.0539E-03,4.505475E-06, &
   -0.30119511,1.840408E-03,-2.7221253742E-06,-0.11331674116, &
   8.47763E-04,-1.22336185E-06,0.3455282,-2.2111E-03,3.503768245E-06, &
   -0.2315332,1.60074E-03,-2.5827835E-06/)
      
      REAL :: w

        w=ws*0.01
        rpmvh2so4_out=x(5)+x(6)*T+x(7)*T*T+(x(8)+x(9)*T+x(10)*T*T)*w &
          +(x(11)+x(12)*T+x(13)*T*T)*w*w
!       h2so4 partial molar volume in h2so4/h2o solution (cm3/mole)
        rpmvh2so4_out=rpmvh2so4_out*1000.
        

     END FUNCTION rpmvh2so4
!-----------------------------------------------------------------------
     REAL function rmvh2o(T) result(rmvh2o_out)
!     molar volume of pure h2o (cm3/mole)

       IMPLICIT NONE
       REAL, INTENT(IN) :: T
       REAL, parameter :: x1=2.393284E-02,x2=-4.359335E-05,x3=7.961181E-08

!      1000: L/mole ->  cm3/mole
!      pure h2o molar volume (cm3/mole)
       rmvh2o_out=(x1+x2*T+x3*T*T)*1000.
       

     END FUNCTION rmvh2o

END MODULE sulfate_aer_mod