source: trunk/LMDZ.MARS/libf/phymars/nucleaCO2.F @ 1711

*******************************************************
*                                                     *
      subroutine nucleaCO2(pco2,temp,sat,n_ccn,nucrate,
     &           n_ccn_h2oice,rad_h2oice,nucrate_h2oice,
     &           vo2co2)
      USE comcstfi_h

      implicit none
*                                                     *
*   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)          *
*   Authors: F. Montmessin                            *
*     Adapted for the LMD/GCM by J.-B. Madeleine      *
*     (October 2011)                                  *
*     Optimisation by A. Spiga (February 2012)        *  
*******************************************************
 ! nucrate = output
      ! nucrate_h2o en sortie aussi : 
!nucleation sur dust et h2o separement ici
!#include "tracer.h"
#include "microphys.h"
c#include "microphysCO2.h"

c     Inputs
      DOUBLE PRECISION pco2,sat,vo2co2
      DOUBLE PRECISION n_ccn(nbinco2_cld), n_ccn_h2oice(nbinco2_cld)
      REAL temp

c     Output
   !   DOUBLE PRECISION nucrate(nbinco2_cld)
      DOUBLE PRECISION nucrate(nbinco2_cld)
      DOUBLE PRECISION nucrate_h2oice(nbinco2_cld) ! h2o as substrate

      double precision rad_h2oice(nbinco2_cld) ! h2o ice grid (as substrate)

c     Local variables
      DOUBLE PRECISION nco2
c      DOUBLE PRECISION sigco2      ! Water-ice/air surface tension  (N.m)
c      external sigco2
      DOUBLE PRECISION rstar    ! Radius of the critical germ (m)
      DOUBLE PRECISION gstar    ! # of molecules forming a critical embryo
      DOUBLE PRECISION fistar   ! Activation energy required to form a critical embryo (J)
!      DOUBLE PRECISION zeldov   ! Zeldovitch factor (no dim)
      DOUBLE PRECISION fshapeco2   ! function defined at the end of the file
      DOUBLE PRECISION deltaf

c     Ratio rstar/radius of the nucleating dust particle
c     double precision xratio
      
      double precision mtetalocal,mtetalocalh ! local mteta in double precision

      double precision fshapeco2simple,zefshapeco2


      integer i
      
      LOGICAL firstcall
      DATA firstcall/.true./
      SAVE firstcall

c     *************************************************

      mtetalocal = dble(mtetaco2)  !! use mtetalocal for better performance
      mtetalocalh=dble(mteta)

cccccccccccccccccccccccccccccccccccccccccccccccccc
ccccccccccc ESSAIS TN MTETA = F (T) cccccccccccccc
c      if (temp .gt. 200) then
c         mtetalocal = mtetalocal
c      else if (temp .lt. 190) then
c         mtetalocal = mtetalocal-0.05
c      else
c         mtetalocal = mtetalocal - (190-temp)*0.005
c      endif
c----------------exp law, see Trainer 2008, J. Phys. Chem. C 2009, 113, 2036\u20132040
       !mtetalocal = max(mtetalocal - 6005*exp(-0.065*temp),0.1)
       !mtetalocal = max(mtetalocal - 6005*exp(-0.068*temp),0.1)
               !print*, mtetalocal, temp
cccccccccccccccccccccccccccccccccccccccccccccccccc
cccccccccccccccccccccccccccccccccccccccccccccccccc 
c      IF (firstcall) THEN
c          print*, ' '  
c          print*, 'dear user, please keep in mind that'
c          print*, 'contact parameter IS constant'
          !print*, 'contact parameter IS NOT constant:'
          !print*, 'max(mteta - 6005*exp(-0.065*temp),0.1)'
          !print*, 'max(mteta - 6005*exp(-0.068*temp),0.1)'
c          print*, ' '  
c         firstcall=.false.
c     END IF
cccccccccccccccccccccccccccccccccccccccccccccccccc
cccccccccccccccccccccccccccccccccccccccccccccccccc
   
c      write(*,*) "IN nuc, SAT = ",sat
c      write(*,*) "IN nuc, mtetalocal = ",mtetalocal


      if (sat .gt. 1.) then    ! minimum condition to activate nucleation

        nco2   = pco2 / kbz / temp
        rstar  = 2. * sigco2 * vo2co2 / (kbz*temp*dlog(sat))
        gstar  = 4. * pi * (rstar * rstar * rstar) / (3.*vo2co2)
        
       fshapeco2simple = (2.+mtetalocal)*(1.-mtetalocal)*(1.-mtetalocal)
     &                   / 4.

c       Loop over size bins
        do 200 i=1,nbinco2_cld
c            write(*,*) "IN NUCLEA, i, RAD_CLDCO2(i) = ",i, rad_cldco2(i),
c     &          n_ccn(i)

          if ( n_ccn(i) .lt. 1e-10 ) then
c           no dust, no need to compute nucleation!
            nucrate(i)=0.
            goto 210
          endif

          if (rad_cldco2(i).gt.3000.*rstar) then
            zefshapeco2 = fshapeco2simple
          else
            zefshapeco2 = fshapeco2(mtetalocal,rad_cldco2(i)/rstar)
          endif

          fistar = (4./3.*pi) * sigco2 * (rstar * rstar) * 
     &             zefshapeco2
          deltaf = (2.*desorpco2-surfdifco2-fistar)/
     &             (kbz*temp)
          deltaf = min( max(deltaf, -100.d0), 100.d0)

          if (deltaf.eq.-100.) then
            nucrate(i) = 0.
          else
            nucrate(i)= dble(sqrt ( fistar /
     &               (3.*pi*kbz*temp*(gstar*gstar)) )
     &                  * kbz * temp * rstar
     &                  * rstar * 4. * pi
     &                  * ( nco2*rad_cldco2(i) )
     &                  * ( nco2*rad_cldco2(i) )
     &                  / ( zefshapeco2 * nusco2 * m0co2 )
     &                  * dexp (deltaf))

            
          endif

210     continue

          if ( n_ccn_h2oice(i) .lt. 1e-10 ) then
c           no dust, no need to compute nucleation!
            nucrate_h2oice(i)=0.
            goto 200
          endif

          if (rad_h2oice(i).gt.3000.*rstar) then
            zefshapeco2 = (2.+mtetalocalh)*(1.-mtetalocalh)*
     &                (1.-mtetalocalh) / 4.
          else
            zefshapeco2 = fshapeco2(mtetalocalh,rad_h2oice(i)/rstar) ! same m for dust/h2o ice
          endif

          fistar = (4./3.*pi) * sigco2 * (rstar * rstar) * 
     &             zefshapeco2
          deltaf = (2.*desorpco2-surfdifco2-fistar)/
     &             (kbz*temp)
          deltaf = min( max(deltaf, -100.d0), 100.d0)

          if (deltaf.eq.-100.) then
            nucrate_h2oice(i) = 0.
          else
            nucrate_h2oice(i)= dble(sqrt ( fistar /
     &               (3.*pi*kbz*temp*(gstar*gstar)) )
     &                  * kbz * temp * rstar
     &                  * rstar * 4. * pi
     &                  * ( nco2*rad_h2oice(i) )
     &                  * ( nco2*rad_h2oice(i) )
     &                  / ( zefshapeco2 * nusco2 * m0co2 )
     &                  * dexp (deltaf))
          endif
          
         

200     continue

      else

        do i=1,nbinco2_cld
          nucrate(i) = 0.
          nucrate_h2oice(i) = 0.
        enddo

      endif

      return
      end

*********************************************************
      double precision function fshapeco2(cost,rap)
      implicit none
*        function computing the f(m,x) factor           *
* related to energy required to form a critical embryo  *
*********************************************************

      double precision cost,rap
      double precision yeah

          !! PHI
          yeah = sqrt( 1. - 2.*cost*rap + rap*rap )
          !! FSHAPECO2 = TERM A
          fshapeco2 = (1.-cost*rap) / yeah
          fshapeco2 = fshapeco2 * fshapeco2 * fshapeco2
          fshapeco2 = 1. + fshapeco2
          !! ... + TERM B
          yeah = (rap-cost)/yeah
          fshapeco2 = fshapeco2 + 
     & rap*rap*rap*(2.-3.*yeah+yeah*yeah*yeah)
          !! ... + TERM C 
          fshapeco2 = fshapeco2 + 3. * cost * rap * rap * (yeah-1.)
          !! FACTOR 1/2
          fshapeco2 = 0.5*fshapeco2

      return 
      end