source: trunk/LMDZ.TITAN.old/libf/phytitan/n_acethylene.F @ 3303

      subroutine n_acethylene(ngrid,nq,nbin,
     *                     dt,pl,tl,aerad,
     *                     q,qprime)

      implicit none
#include "dimensions.h"
#include "microtab.h"
#include "varmuphy.h"

c  Arguments
c  ---------

      integer ngrid,nq,nbin

      REAL dt              ! physical time step (s)
      REAL pl(ngrid,nz)    ! pressure at each level (mbar)
      REAL tl(ngrid,nz)    ! temperature at each level (K)
      REAL aerad(nbin)     ! Radius array

c    Tracers :
      REAL q(ngrid,nz,nq)         ! tracer (kg/kg)
      REAL qprime(ngrid,nz,nbin)  ! tracer (kg/kg)


c     Local variables
c     ---------------

      integer ntyp
      parameter (ntyp=3)

      real n_aer(nz,nbin,ntyp)
      real c2h2vap(nz)

      integer itrac
      integer ig,i,j,k,l,n   ! Loop integers
      integer ilay,iq

c  Treatment 
c  ---------

      DO ig = 1 , NGRID

c     Set up the aerosol array
        do j = 1, ntyp
          do k = 1, nbin
            itrac = (j-1) * nbin + k
            do l = 1, nz
              n_aer(l,k,j) = max(q(ig,l,itrac),0.)
            enddo 
          enddo
        enddo

c     Set up the methane vapor array
        do l = 1, nz
          c2h2vap(l) = q(ig,l,nq)
        enddo

        call nucleacond3(ngrid,nbin,dt,ig,pl,tl,aerad,
     &                             n_aer,qprime,c2h2vap)

c       Update q arrays
        do j = 1, ntyp
          do k = 1, nbin
            itrac = (j-1) * nbin + k
            do l = 1, nz
              q(ig,l,itrac) = n_aer(l,k,j)
            enddo 
          enddo
        enddo

c     Update methane vapor array
        do l = 1, nz
          q(ig,l,nq) = c2h2vap(l)
        enddo

      ENDDO

      return
      END

****************************************************************
      subroutine nucleacond3(ngrid,nbin,dt,ig,
     *                      pl,tl,aerad,n_aer,qprime,c2h2vap)
*                                                              *
*     This routine updates species concentrations due          *
*     to both nucleation and condensation-induced variations.  *
*     Gain and loss rates associated to each one of these      *
*     processes are computed separately in other routines.     *
*                                                              *
****************************************************************

      implicit none
#include "dimensions.h"
#include "microtab.h"
#include "varmuphy.h"

      integer ng,nalt
      parameter(ng=1,nalt=llm)


      real lv

      common/lheat/lv



c  Arguments
c  ---------

      integer ngrid,nbin
      integer ig
      integer ntyp
      parameter (ntyp=3)

      real dt                    ! Global time step
      real pl(ngrid,nz),tl(ngrid,nz)
      real aerad(nbin)
      real c2h2vap(nz)            ! Methane vapor mass mixing ratio (kg/m3)
      real c2h2vap_old
      real n_aer(nz,nbin,ntyp)  ! number concentrations of particle/each size bin 
      real qprime(ngrid,nz,nbin)  ! tracer (kg/kg)
      REAL total1(nz),total11(nz),total2(nz),total22(nz)
      REAL dmsm,mtot





c  Local
c  -----

      integer i,j,k,l,n,iindice,iselec

      real dQc           ! Amount of condensed methane (kg/m3) during timestep
      real*8 sat_ratio     ! Methane saturation ratio over liquid
      real*8 sat_ratmix  ! Methane saturation ratio over liquid
      real*8 pc2h2         ! Methane partial pressure (Pa) 
      real qsat          ! Methane mass mixing ratio at saturation (kg/kg of air)
      real qsatmix          ! Methane mass mixing ratio at saturation (kg/kg of air)
      real*8 rate(nbin)    ! Heterogeneous Nucleation rate (s-1)
      real*8 elim          

      real nsav(nbin,ntyp)
      real dn(nbin,ntyp)
      real rad(nbin)     ! Radius of droplets in each size bin
      real*8 gr(nbin)      ! Growth rate in each bin
      real radius        ! Radius of droplets after growth
      real Qs            ! Mass of condensate required to reach saturation
      real newsat
      real vol(nbin)

      real press
      real sig3,temp,seq(nbin)
      real Ctot,up,dwn,newvap,gltot

      real temp0,temp1,temp2,last_temp
      real qsat1,sat_ratio1,tempf(0:10),sat_ratiof(0:10)
      real rho_a,cap
      real tempref
      real xtime,xtime_prime


c     Variables for latent heat release
      real lw
      data lw / 581.e+3/
      save lw


c  Treatment
c  ---------
      do i = 1, nbin
        vol(i) = 4./3. * pi * aerad(i)**3.
      enddo

      do l = 1, nz
      total1(l)=0. !solide
      do k = 1, nbin
      total1(l)=total1(l)+n_aer(l,k,2)*rhoi_c2h2
      enddo
      total2(l)=c2h2vap(l)
      enddo


c     Start loop over heights
      DO 100 l = 1, nz

        iindice=0                ! mettre l'indice à 0

        temp   = tl(ig,l)
        press  = pl(ig,l)
        tempref=temp

c       Save the values of the particle arrays before condensation
        do j = 1, ntyp
          do i = 1, nbin
             nsav(i,j) = n_aer(l,i,j)
          enddo
        enddo


 99     continue 


        call c2h2sat(temp,press,qsat)
        qsatmix=qsat
 
c  quantité  pmixc2h2(l) déjà calculé dans cnuages.F et passé dans un common
 
c       Get the partial presure of methane vapor and its saturation ratio
        pc2h2      = c2h2vap(l) * (Mn2/Mc2h2) * press
        sat_ratio  = c2h2vap(l) / qsat
        sat_ratmix = c2h2vap(l) / qsatmix

c       Get the rates of nucleation
        call nuclea3(nbin,aerad,pc2h2,temp,sat_ratio,rate)

c       Get the growth rates of condensation/sublimation
        up   = c2h2vap(l)
        dwn  = 1.
        Ctot = c2h2vap(l)
        DO i = 1, nbin

        if (n_aer(l,i,3).eq.0) then
         rad(i) = aerad(i)
        else
         rad(i) = ((n_aer(l,i,2)/n_aer(l,i,3) + 
     &   qprime(ig,l,i)/n_aer(l,i,3)
     &   +vol(i))*0.75/pi)**(1./3.)
        endif


*       Equilibrium saturation ratio (due to curvature effect)
        seq(i) = exp( 2.*sig3(temp)*Mc2h2 /(rhoi_c2h2*rgp*temp*rad(i)))

        call growthrate3(dt,temp,press,pc2h2,
     &                   sat_ratmix,seq(i),rad(i),gr(i))

        up = up + dt * gr(i) * 4. * pi * rhoi_c2h2 * rad(i) * seq(i)
     *                 * nsav(i,3) 
        dwn= dwn+ dt * gr(i) * 4. * pi * rhoi_c2h2 * rad(i) / qsat
     *                 * nsav(i,3) 
        Ctot= Ctot + rhoi_c2h2 * nsav(i,2)

        ENDDO

        newvap = min(up/dwn,Ctot)
        newvap = max(newvap,0.)

        gltot = 0.
        DO i = 1, nbin
          gr(i)  = gr(i) * ( newvap/qsat - seq(i) )
          if(nsav(i,2).le.0. .and. gr(i).le.0.) then
              n_aer(l,i,2) = 0.
          else
          n_aer(l,i,2) = nsav(i,2) + dt * gr(i) * 4. * pi * rad(i)
     *                               * n_aer(l,i,3)
          if (n_aer(l,i,2).le.0.) then
            n_aer(l,i,1) = n_aer(l,i,1) + n_aer(l,i,3)
            n_aer(l,i,2) = 0.
            n_aer(l,i,3) = 0.
          endif
          gltot=n_aer(l,i,2)*rhoi_c2h2+gltot
          endif

        ENDDO
   
c       Determine the mass of exchanged methane

        dQc = 0.
        DO i = 1, nbin
          dQc = dQc - rhoi_c2h2 * ( n_aer(l,i,2) - nsav(i,2) )
        ENDDO

c       Update the methane vapor mixing ratio implied by 
c       the cond/eva processes.


c       Arrays resetted to their initial value before condensation
        do j = 1, ntyp
          do i = 1, nbin
            dn(i,j)      = n_aer(l,i,j) - nsav(i,j)
            n_aer(l,i,j) = nsav(i,j)
          enddo
        enddo

c       Update the c arrays.
c       nucleation & cond/eva tendencies added together.

        do i=1,nbin
          elim         = dt * rate(i)
          n_aer(l,i,1) = n_aer(l,i,1) / (1.+elim)
          n_aer(l,i,3) = n_aer(l,i,3) + elim * n_aer(l,i,1) + dn(i,3)
          n_aer(l,i,1) = n_aer(l,i,1) + dn(i,1)
          n_aer(l,i,2) = n_aer(l,i,2) + dn(i,2)
          if(n_aer(l,i,2).lt.0.) n_aer(l,i,2)=0.
        enddo

        dQc = 0.
        DO i = 1, nbin
          dQc = dQc - rhoi_c2h2 * ( n_aer(l,i,2) - nsav(i,2) )
        ENDDO


        c2h2vap(l)  = c2h2vap(l) + dQc

100   CONTINUE

      do l = 1, nz
      total11(l)=0. 
      do k = 1, nbin
      total11(l)=total11(l)+n_aer(l,k,2)*rhoi_c2h2
      enddo
      total22(l)=c2h2vap(l)
      enddo

      return
      end


*******************************************************
*                                                     *
      subroutine nuclea3(nbin,aerad,pc2h2,temp,sat,nucrate)
*   This subroutine computes the nucleation rate      *
*   as given in Pruppacher & Klett (1978) in the      *
*   case of water ice forming on a solid substrate.   *
*     Definition refined by Keese (jgr,1989)          *
*                                                     *
*******************************************************

      implicit none
#include "dimensions.h"
#include "microtab.h"
#include "varmuphy.h"

      integer nbin
      real aerad(nbin)

      real*8 nucrate(nbin)
      real*8 pc2h2
      real   temp
      real*8 sat

      integer l,i
      real*8 nc2h2
      real sig3            ! Water-ice/air surface tension  (N.m)
      real*8 rstar        ! Radius of the critical germ (m)
      real*8 gstar        ! # of molecules forming a critical embryo
      real*8 x            ! Ratio rstar/radius of the nucleating dust particle
      real fistar         ! Activation energy required to form a critical embryo (J)
      real*8 zeldov       ! Zeldovitch factor (no dim)
      real*8 fshape3       ! function defined at the end of the file
      real*8 deltaf

      real nus
      data nus/1.e+13/       ! Jump frequency of a molecule (s-1)
      real m0
      data m0/4.31894e-26/     ! Weight of a methane molecule (kg)
      real vo1
      data vo1/4.22764e-5/    ! Volume molaire (masse molaire/masse volumique = MolWt/LDEN)
      real desorp
      data desorp/0.288e-19/ ! Activation energy for desorption of water on a dust-like substrate (J/molecule)
      real surfdif
      data surfdif/0.288e-20/! Estimated activation energy for surface diffusion of water molecules (J/molecule)

      IF (sat .GT. 1.) then    ! minimum condition to activate nucleation

        nc2h2    = pc2h2 / kbz / temp
        rstar  = 2. * sig3(temp) * vo1 / (rgp*temp*log(sat))
        gstar  = 4. * nav * pi * (rstar**3) / (3.*vo1)
c       Loop over size bins
        do i=1,nbin
          x      = aerad(i) / rstar
          x      = aerad(imono) / rstar  ! r(5)=monomere
          fistar = (4./3.*pi) * sig3(temp) * (rstar**2.) 
     &     *fshape3(mtetac2h2,x)
          deltaf = min( max((2.*desorp-surfdif-fistar)/(kbz*temp)
     &           , -100.), 100.)
          if (deltaf.eq.-100.) then 
            nucrate(i) = 0. 
          else
            zeldov = sqrt ( fistar / (3.*pi*kbz*temp*(gstar**2.)) )
            nucrate(i)  = zeldov * kbz* temp * rstar**2.
     &                  * 4. * pi * ( nc2h2*aerad(i) )**2.
     &                  / ( fshape3(mtetac2h2,x) * nus * m0 )
     &                  * dexp(deltaf)


            if(i.gt.imono)  nucrate(i)= zeldov * kbz* temp * rstar**2.
     &          * 4. * pi * vrat_e**(i-imono)*(nc2h2*aerad(imono) )**2.
     &                  / (fshape3(mtetac2h2,x) * nus * m0 )
     &                  * dexp(deltaf)

          endif
        enddo
      ELSE
        do i=1,nbin
          nucrate(i) = 0.
        enddo

      ENDIF

      return
      end

******************************************************************
        subroutine c2h2sat(t,p,qsat)
*                                                                 *
* cette fonction calcule la pression de vapeur saturante de l'    *
* ethane a une altitude donnee z par Reid et al., p657            *
*                                                                 *
* Compatible avec Barth et al., dans l'intervalle 30-90K          *
*                                                                 *
*                                                                 *
******************************************************************

        real rgp
        data rgp/8.3143/

* declaration des variables internes
* ----------------------------------

        real qsat,t,p
         

        a=-6.90128
        b=1.26873
        c=-2.09113
        d=-2.75601
        pc=61.4*1.013e5
        tc=308.3

        x=(1.-t/tc)
        if(x.gt. 0.) qsat=(1-x)**(-1)*(a*x+b*x**1.5+c*x**3.+d*x**6.)
        if(x.le. 0.) qsat=a*x/abs(1.-x)     ! approx pour  t > tc
        qsat=pc*exp(qsat)

        qsat=qsat* 26.0 / (28.0*p)  ! kg/kg

        return
        end

c=======================================================================
      subroutine growthrate3(timestep,temp,press,pc2h2,sat,seq,r,Cste)
c
c     Determination of the droplet growth rate
c
c=======================================================================

      IMPLICIT NONE
#include "dimensions.h"
#include "microtab.h"
#include "varmuphy.h"

c-----------------------------------------------------------------------
C   DECLARATIONS:
c   -------------

      common/lheat/Lv

c
c   arguments:
c   ----------

      REAL timestep
      REAL temp    ! temperature in the middle of the layer (K)
      REAL press    ! pressure in the middle of the layer (K)
      REAL*8 pc2h2 ! Methane vapor partial pressure (Pa)
      REAL*8 sat  ! saturation ratio 
      REAL r    ! crystal radius before condensation (m)
      REAL seq  ! Equilibrium saturation ratio

c   local:
c   ------

      REAL psat
      REAL moln2,molc2h2
      REAL To,tc2h2,wc2h2       ! Reid et al., (eq 7-9.4 + Appendix compound  [168])
      REAL fte

c     Effective gas molecular radius (m)
      data moln2/1.75e-10/   ! N2
c     Effective gas molecular radius (m)
      data molc2h2/2.015e-10/   ! C2H2
c     Temperature critique  + omega
      data tc2h2/308.3/
      data wc2h2/19.0e-2/

      REAL k,Lv                 
      REAL knudsen           ! Knudsen number (gas mean free path/particle radius)
      REAL a,Dv,lambda,Rk,Rd ! Intermediate computations for growth rate
      REAL*8 Cste

c-----------------------------------------------------------------------
c      Ice particle growth rate by diffusion/impegement of molecules
c                r.dr/dt = (S-Seq) / (Seq*Rk+Rd)
c        with r the crystal radius, Rk and Rd the resistances due to 
c        latent heat release and to vapor diffusion respectively 
c----------------------------------------------------------------------- 

      psat = pc2h2 / sat

c     - Thermal conductibility of N2
      
      k = ( 2.857e-2 * temp - 0.5428  ) * 4.184e-3
      
      
c     - Latent heat of c2h2 (J.kg-1)
      Lv =581.e3                      ! eq (7-9.4) Reid et al. 
      fte=(1.-temp/tc2h2)
      if (fte.le.1.e-3)  fte=1.e-3
      Lv=8.314*tc2h2*(7.08*fte**0.354+10.95*wc2h2*fte**0.456)/26.e-3

      

c     - Constant to compute gas mean free path
c     l= (T/P)*a, with a = (  0.707*8.31/(4*pi*molrad**2 * avogadro))

      a = 0.707*rgp/(4 * pi* (moln2*1.e10)**2  * (nav*1.e-20))

c     - Compute Dv, methane vapor diffusion coefficient
c       accounting for both kinetic and continuum regime of diffusion,
c       the nature of which depending on the Knudsen number.

      Dv = 1./3. * sqrt( 8*rgp*temp/(pi*Mc2h2) )* (kbz*1.e20) * temp/
     & (pi*press*(moln2*1.e10+molc2h2*1.e10)**2 * sqrt(1.+Mc2h2/Mn2))

      knudsen = temp / press * a / r
      lambda  = (1.333+0.71/knudsen) / (1.+1./knudsen)
      Dv      = Dv / (1. + lambda * knudsen)

c     - Compute Rk
      Rk = Lv**2 * rhoi_c2h2 * Mc2h2 / (k*rgp*temp**2.)
*     print*,'Cste Rk :',Lv,k,rgp,t

c     - Compute Rd
      Rd = rgp * temp *rhoi_c2h2 / (Dv*psat*Mc2h2)
*     print*,'Cste Rd :',Dv,psat,Mc2h2

c     - Compute:      rdr/dt = Cste * (S-Seq)
      Cste = 1. / (seq*Rk+Rd)
*     print*,'Cste Cste :',seq,Rk,Rd


      RETURN
      END


*********************************************************
      real function sig3(t)
*   this function computes the surface tension (N.m)   *
*   between acethylene and air as a function of temp.    *
*********************************************************

      real t
      pc=61.4*1.01325e5
      tc=308.3
      tb=188.4
      tr=t/tc
      tbr=tb/tc
      if(t.gt.308.0) then
         tr=308./tc
      endif



      sig3=0.1196*(1.+(tbr*alog(pc/1.01325))/(1.-tbr))-0.279
      sig3=pc**(2./3.)*tc**(1./3.)*sig3*(1.-tr)**(11./9.)
      sig3=sig3*1.e-8

      return
      end

*********************************************************
      real*8 function fshape3(cost,rap)
*        function computing the f(m,x) factor           *
* related to energy required to form a critical embryo  *
*********************************************************

      implicit none

      real cost
      real*8 rap
      real*8 phi
      real*8 a,b,c


      phi = sqrt( 1. - 2.*cost*rap + rap**2 )
      a = 1. + ( (1.-cost*rap)/phi )**3
      b = (rap**3) * (2.-3.*(rap-cost)/phi+((rap-cost)/phi)**3)
      c = 3. * cost * (rap**2) * ((rap-cost)/phi-1.)

      fshape3 = 0.5*(a+b+c)

      if (rap.gt.3000.) fshape3 = ((2.+cost)*(1.-cost)**2)/4.

      return
      end