Design og modellering af metanolanlæg til VEnzin-visionen Bilag

VEnzin.for
c:/dna/source/
ENDDO
DO I=1,ANTST
NIN(I)=MDOT(1)*X_J(MEDIE(1),I)/M_MOL(I) +
+ MDOT(3)*X_J(MEDIE(3),I)/M_BL(3)
ENDDO
NIN(37)=NIN(37)+MDOT(2)/M_MOL(37)
NIN(28)=NIN(28)*CC
C
C Calculate mole flow of each species out
C
M_BL(4) = 0D0
DO I=1,ANTST
M_BL(4)=M_BL(4)+X_J(MEDIE(4),I)*M_MOL(I)
ENDDO
NOUT(ANTST+1) = (−MDOT(4))/M_BL(4)
DO I=1,ANTST
NOUT(I)=NOUT(ANTST+1)*X_J(MEDIE(4),I)
cbe 20041711 molar fractions excluding "non−equilibrium" methane
IF (I.EQ.11) THEN
XEQ(I)=(X_J(MEDIE(4),i)−METH)/(1.D0−METH)
ELSE
XEQ(I)=X_J(MEDIE(4),I)/(1.D0−METH)
ENDIF
ENDDO
C
C Gibbs’ free energy of each compound
C
DO I=1,15
IF (CALCOM(I).GT.0)
$ CALL GIBBS(CALCOM(I),TGAS,PGAS*(1.D0−METH)*XEQ(CALCOM(I))
$ ,G(I))
ENDDO
C
C Partial derivatives of the function to be minimized with respect to
C each species molar fraction
DO I=1,15
IF (CALCOM(I).LT.0) THEN
RES(I+8) = X_J(MEDIE(4),−CALCOM(I))
ELSEIF (X_J(MEDIE(4),CALCOM(I)).GT.1.0D−5) THEN
RES(I+8) = G(I)
c /(R*TGAS) +
c : DLOG(PGAS*NOUT(CALCOM(I))/NOUT(ANTST+1))
cbe 041117 part of the fuel is not reaching equilibrium
c : DLOG(PGAS*XEQ(CALCOM(I)))
DO J=1,6
RES(I+8) = RES(I+8) + ZA(J)*EL(CALCOM(I),J)
ENDDO
ELSE
RES(I+8) = G(I)
c /(R*TGAS) +
c : DLOG(1.d−5)+
c $ 1.d5*(pgas*NOUT(CALCOM(I))/NOUT(ANTST+1)−1.d−5)
c RES(I+8) = X_J(MEDIE(4),CALCOM(I))−1.0D−10
DO J=1,6
RES(I+8) = RES(I+8) + ZA(J)*EL(CALCOM(I),J)
ENDDO
if (fiter) then
write(warnstring,’(a,a,a,a)’) ’Warning: The compound ’,
$ COMPNA(CALCOM(I)),
$ ’should be removed from the ’,
$ ’compound equilibrium calculation.’
call printout(warnstring)
endif
ENDIF
ENDDO
C
C Molar balance for each atom (H,C,N,O,S,Ar)
C
DO J=1,ANTEX−1
RES(ANTLK+J) = 0D0
DO I=1,ANTST
RES(ANTLK+J)=RES(ANTLK+J)−(NIN(I)−NOUT(I))*EL(I,J)
ENDDO
ENDDO
RES(29) = 1.0D0
DO I=1,ANTST
RES(29)= RES(29)−X_J(MEDIE(4),I)
10/67
19−03−2007