Aspen Plus Workshop - Pyrolysis of Benzene              |POLVER05_1
d(FA)/d(V) =   rA   #lbmole/h/ft^3
d(FB)/d(V) =   rB   #lbmole/h/ft^3
d(FC)/d(V) =   rC   #lbmole/h/ft^3
d(FD)/d(V) =   rD   #lbmole/h/ft^3
To =  1033  #K
Po =  1  #atm
T =  To  #K (isothermal)
P =  Po  #atm (isobaric, no pressure drop)
K1A = exp(Ap + Bp/T + Cp*ln(T) + Dp*T + Ep*T^2) #
K2B = exp(App + Bpp/T + Cpp*ln(T) + Dpp*T + Epp*T^2) #
k1A = A1*exp(-E1/R/T) #lbmole/h/ft^3/atm^2
k2B = A2*exp(-E2/R/T) #lbmole/h/ft^3/atm^2
r1A = - k1A * (pA^2 - pB*pD/K1A) #lbmole/h/ft^3/atm^2
r2B = - k2B * (pA*pB - pC*pD/K2B) #lbmole/h/ft^3/atm^2
rA =  r1A+r2B  #lbmole/h/ft^3/atm^2
rB =  r2B-r1A/2  #lbmole/h/ft^3/atm^2
rC =  -r2B  #lbmole/h/ft^3/atm^2
rD =  -r1A/2-r2B  #lbmole/h/ft^3/atm^2
F =  FA + FB + FC + FD  #lbmole/h  (Total molar flow rate)
Co =  Po/R/To  #lbmole/ft^3
CA =  Co*(FA/F)*(P/Po)*(To/T)  #lbmole/ft^3
CB =  Co*(FB/F)*(P/Po)*(To/T)  #lbmole/ft^3
CD =  Co*(FD/F)*(P/Po)*(To/T)  #lbmole/ft^3
CC =  Co*(FC/F)*(P/Po)*(To/T)  #lbmole/ft^3
pA =  CA*R*T  #atm
pB =  CB*R*T  #atm
pC =  CC*R*T  #atm
pD =  CD*R*T  #atm
A1 =  2.68e9/359  #lbmole/h/ft^3/atm^2
A2 =  3.11e9/359  #lbmole/h/ft^3/atm^2
E1 =  30190  #cal/gmole
E2 =  30190  #cal/gmole
R =  1.987  #cal/gmole/K
Ap =  -19.76  #for the 1st equilibrium constant
Bp =  -1692  #
Cp =  3.13  #
Dp =  -1.63e-3  #
Ep =  1.96e-7  #
App =  -28.74  #for the 2nd equilibrium constant
Bpp =  742  #
Cpp =  4.32  #
Dpp =  -3.15e-3  #
Epp =  5.08e-7  #
V(0)=0
FA(0)=0.0682
FB(0)=0
FC(0)=0
FD(0)=0
V(f)=0.004263