Aspen adsorption 自带例子丁烯脱氢生成丁二烯Fortran语句

冰海烈焰 · 发表于 1970-1-1 08:00:00

   subroutine pUgCtSl(Tg,p,y,ny,cs,nsol,
   :                Rgas,ngas,Rtot,nreac,Rsol,nrsol,ifail)
C-----------------------------------------------------------
C  Reaction Rates for Butene dehydrogenation example
C  reference: Froment, Bischoff: Chemical Reactor Analysis
C  and Design
C  T.B. 06.09.98
C------------------------------------------------------------
   implicit none
   integer ncomp, nsol, ngas, nreac, nrsol, ifail, itype, i, j,
   :       ncg, ncs, nctot, nr, ny

   parameter (ncg=4, ncs=1, nctot=5, nr=3)

   double precision Tg, p, c(ncg), cs(nsol), stage, Rgas(ngas),
   :                Rtot(nreac), Rsol(nrsol), R, Ea(nr), k0(nr),
   :                kactive(nr), stoichg(ncg, nr), stoichs(ncs, nr),
   :                F, ctot, pp(ncg), K, M_C, effect(nr), y(ny)

   data R /8.31441d0/
   data K /0.0018d0/
   data M_C /12.011d0/
   data Ea /29236.0d0, 32860.0d0, 21042.0d0/
   data k0 /5072.22d0, 43300.0d0, 141.89d0/
   data effect /1d0, 1d0, 1d0/
   data ((stoichg(i,j), i=1,1), j=1,nr) /0.0d0, 0.0d0, 1.0d0/
   data ((stoichg(i,j), i=2,2), j=1,nr) /0.0d0, -1.0d0, 0.0d0/
   data ((stoichg(i,j), i=3,3), j=1,nr) /1.0d0, 0.0d0, 0.0d0/
   data ((stoichg(i,j), i=4,4), j=1,nr) /0.0d0, 0.0d0, 0.0d0/
   data ((stoichs(i,j), i=1,1), j=1,nr) /0.0d0, 0.0d0, 0.0d0/

C-------------------------------------------------------------------
C set active rate constants to be k0 or 0, depending on stage number
C-------------------------------------------------------------------

      kactive(1) = k0(1)
      kactive(2) = k0(2)
      kactive(3) = k0(3)

C------------------------------------------------------------------
C Calculate the reaction rates of each reaction
C------------------------------------------------------------------
   do i=1, nr
      rtot(i) = kactive(i)*dexp(-Ea(i)/(R*Tg))*effect(i)
   enddo

   do i=1,ncg
      c(i) = y(i)*p/(R*1.0d-2*Tg)
   enddo

   ctot = 0.0d0

   do i=1, ncg
      ctot = ctot + c(i)
   enddo

   do i=1, ncg
      pp(i) = p*y(i)
   enddo
C------------------------------------------------------------------
C The following are only dummies. To be used until rate eq is known
c Substitute/Replace 1.0d-3 below with the right composition function F
C------------------------------------------------------------------                                  从这开始，我感觉是在定义反应速率，为什么还对反应速率进行比较？
   F  = 1.0D-3
   Rtot(1) = rtot(1)*(pp(2)-pp(3)*pp(1)/K)/
   : ((1.0d0+1.727d0*pp(2)+3.593d0*pp(3)+38.028d0*pp(1))**2.0d0)*
   : dexp(-42.12d0*cs(1)*M_C)
   if(pp(2) .lt. 1.0d-20) then
      Rtot(2) = 1.0d-20
   else
      Rtot(2) = rtot(2)*pp(2)**0.743d0/
   :          ((1.0d0+1.695d0*dsqrt(pp(3)))**2.0d0)*
   :          dexp(-45.53d0*M_C*cs(1))/M_C
   endif
   if(pp(1) .lt. 1.0d-20) then
      Rtot(3) = 1.0d-20
   else
      Rtot(3) = rtot(2)*pp(1)**0.853d0/
   :          ((1.0d0+1.695d0*dsqrt(pp(3)))**2.0d0)*
   :          dexp(-45.53d0*M_C*cs(1))/M_C
   endif

C------------------------------------------------------------------
C Calculate the reaction rates for each component
C------------------------------------------------------------------
   Rgas(1) = Rtot(1)-Rtot(3)/(4.0d0)
   Rgas(2) = -(Rtot(1)+Rtot(2)/(4.0d0))
   Rgas(3) = Rtot(1)
   Rgas(4) = 1.0d-20
C    if(y(2) .gt. 0.99999d0)then
C       Rsol(1) = 0.0d0
C    else
      Rsol(1) = Rtot(2)+Rtot(3)
C    endif

   return
   end

chenhaijunsjy · 发表于 1970-1-1 08:00:00

粗看了下，很适合我这种初学者

冰海烈焰 · 发表于 1970-1-1 08:00:00

chenhaijunsjy 发表于 2015-6-17 08:54
粗看了下，很适合我这种初学者

能看懂吗？最后一步Rgas（1）、Rgas（2）、Rgas（3）、Rgas（4）是什么？

Aspen adsorption 自带例子丁烯脱氢生成丁二烯Fortran语句

相关帖子

点评