PROBLEMA 17 DE ABRIL TRES REACTORES UNA SOLA RXN

#A+B=C
#PFR REVERSIBLE
#BALANCE DE MATERIA
d(XA) / d(V) = (-1/nA0)*rA
XA(0) = 0

#BALANCE DE ENERGÍA
d(T) / d(V) = DHrxn*(rA/uA)/(-sumCp-(XA*nA0*DCp/uA))
T(0) = 300

HA0=-20000 #kcal/mol
HB0=-15000 #kcal/mol
HC0=-41000 #kcal/mol

CpA=15 #cal/molK
CpB=15 #cal/molK
CpC=30 #cal/molK

uA=-1

DHrxn=DHref+DCp*(T-Tref)
DCp=(-CpA)+(-CpB)+(CpC)
DHref=(-HA0)+(-HB0)+(HC0)
sumCp=(nA0*CpA)+(nB0*CpB)+(nC0*CpC)

#LÍMITES DE INTEGRACIÓN
V(0) = 0
V(f) = 310
#CINÉTICA
rA=-(k*CA*CB-kprima*CC)
kprima=k/Keq
Keq=Keqref*exp((-DHrxn/R)*((1/T)-(1/Tref2)))
Keqref=10 #L/mol
Tref2=450 #K
k=kref*exp((-E/R)*((1/T)-(1/Tref)))
kref=0.01 #Lmol/s_ k@300K
Tref=300 #K
E=10000 #cal/mol
R=1.987 #cal/molK

#ESTEQUIOMETRÍA
nA0=0.2 #mol/s
nB0=0.2 #mol/s
nC0=0 #mol/s

nA=nA0-nA0*XA
nB=nB0-nA0*XA
nC=nC0+nA0*XA

CA=CA0-CA0*XA
CB=CB0-CA0*XA
CC=CC0+CA0*XA

CA0=0.1 #mol/L
CB0=0.1 #mol/L
CC0=0 #mol/L
#CSTR
#Balance de materia
f(V) = XA-((V*k)/v)*(1-XA)
V(0) = 1000
#Balance de energía
f(T) = nA0*CpA*(T0-T)+nB0*CpB*(T0-T)+(nA0*XA*DHr)
T(0) = 400
HA0=-20000#cal/mol
HB0=-15000#cal/mol
HC0=-41000#cal/mol
CpA=15#cal/mol*k
CpB=15
CpC=30
uA=-1
DHr=DHref+dCp*(T0-Tref)
DCp=-CpA-CpB+CpC
DHref=-HA0-HB0+HC0
sumCp=(nA0*CpA)+(nB0*CpB)+(nC0*CpC)
T0=300 #k
#Cinética
rA=-k*CA*CB
k=kref*exp(-(E/R)*((1/T0)-(1/Tref)))
kref=0.01#L/mol*s _k @300K
Tref=300#K
E=10000#cal/mol
R=1.987#cal/mol*K

nA0=.2#mol/s
nB0=0.2#mol/s
nC0=0
nA= nA0-(nA0*XA)
nB=nB0-(nA0*XA)
nC=nC0+(nA0*XA)
CA=CA0-(CA0*XA)
CB=CB0-(CA0*XA)
CC=CC0+(CA0*XA)
CA0=0.1 #mol/dm3
CB0=CA0
CC0=0
v0=2 #dm3/s
v=v0
XA=0.9

#A+B=C
#BATCH
#BALANCE DE MATERIA
d(XA) / d(t) = (-1/nA0)*rA*V
XA(0) = 0

#BALANCE DE ENERGÍA
d(T) / d(t) = (-DHrxn*(rA/uA)*V)/(sumCp+(XA*nA0*DCp/uA))
T(0) = 300

HA0=-20000 #kcal/mol
HB0=-15000 #kcal/mol
HC0=-41000 #kcal/mol

CpA=15 #cal/molK
CpB=15 #cal/molK
CpC=30 #cal/molK

uA=-1

DHrxn=DHref+DCp*(T-Tref)
DCp=(-CpA)+(-CpB)+(CpC)
DHref=(-HA0)+(-HB0)+(HC0)
sumCp=(nA0*CpA)+(nB0*CpB)+(nC0*CpC)

#LÍMITES DE INTEGRACIÓN
t(0) = 0 #segundos
t(f) = 100 #segundos

#CINÉTICA
rA=-k*CA*CB
k=kref*exp((-E/R)*((1/T)-(1/Tref)))
kref=0.01 #Lmol/s_ k@300K
Tref=300 #K
E=10000 #cal/mol
R=1.987 #cal/molK

#ESTEQUIOMETRÍA
nA0=10 #mol
nB0=10 #mol
nC0=0 #mol

nA=nA0-nA0*XA
nB=nB0-nA0*XA
nC=nC0+nA0*XA

CA=CA0-CA0*XA
CB=CB0-CA0*XA
CC=CC0+CA0*XA

CA0=0.4 #mol/L
CB0=CA0 #mol/L
CC0=0 #mol/L
V=25 #L

#Tercer Examen Parcial 15 de abril

#Balance de Materia
f(E1) = nA0-nA+rA*V
E1(0) = 18
f(E2) = nD0-nD+rD*V
E2(0) = 0.5

#Cinética
rA=-(2*(k1*CA*(CB^1/2)))
rD=(k2*CC*CB)
k1=4.82e12*exp(-28900/(1.987*T))
k2=8.89e15*exp(-35200/(1.987*T))
T=150+273.15
V=5.5*1000 #m3 a Litros

#Estequiometría
nA=nA0-E1
nB=nB0-(0.5*E1)-E2
nC=nC0+E1-E2
nD=nD0+E2
ntot=ntot0-(0.5*E1)-E2

nA0=60 #mol/s
nB0=20 #mol/s
nC0=0 #mol/s
nD0=0 #mol/s

CA=nA/v
CB=nB/v
CC=nC/v
CD=nD/v
v=v0*(ntot/ntot0)
#ntot0=(P*v0)/(R*T)
ntot0=nA0+nB0+nC0+nD0

P=1 #atm
R=0.082057 #L*atm/mol*K
v0=10 #Litros

#Rendimiento
RAC=(nC-nC0)/nA0
#A+B-C
#A+C-D

#Balance de Materia CSTR

f(E1) = NB0-NB+(rb*V)
E1(0) = 20

f(E2) = ND0-ND+(rd*V)
E2(0) = 5
#Balance de Energía
sumCp=(NA0*CpA+NB0*CpB+NC0*CpC+ND0*CpD)*(T0-T)
sumDH=E1*DHR1+E2*DHR2
Q=-sumCp+sumDH

DHR1=DHRref1+DCp1*(T-Tref)
DHR2=DHRref2+DCp2*(T-Tref)

CpA=33.2 #cal/mol*C
CpB=48.57
CpC=83.66
CpD=119.31

H0A=4.88*1000 #cal/mol a 25°C y 1 atm

H0B=19.82*1000
H0C=0.94*1000
H0D=-18.53*1000

DCp1=-1*CpA-1*CpB+1*CpC
DCp2=-1*CpA-1*CpC+1*CpD

DHRref1=-1*H0A-1*H0B+1*H0C
DHRref2=-1*H0A-1*H0C+1*H0D

Tref=25+273

#Cinética
rb=-k1*CA*CB
rd=k2*CA*CC
k1=A1*exp(-EA1/(R*T))
k2=A2*exp(-EA2/(R*T))

A1=5.6e7
A2=4.65e9
EA1=24.9 #kcal/mol
EA2=35.08 #kcal/mol
R=1.9872041/1000 #kcal/mol

#Estequiometría
NA=NA0-E1-E2
NB=NB0-E1
NC=NC0+E1-E2
ND=ND0+E2
NTOT=NTOT0-E1-E2

NA0=100 #mol/s
NB0=100 #mol/s
NC0=0
ND0=0
NTOT0=NA0+NB0+NC0+ND0 #mol/s

v0=(NTOT0*R2*T0)/P0 #entrada de reactor

P0=10 #atm
T0=915 #K (supuesto)
R2=0.08205736 #atm L / mol K

v=v0*(NTOT/NTOT0)*(T/T0)*(P0/P) #Salida del Reactor

P=P0
T=T0

CA=NA/v
CB=NB/v
CC=NC/v
CD=ND/v

#Datos
V=1000 #L (volumen de reactor)

#Parámetros de Desempeño
XA=(NA0-NA)/NA0
Sel=(NC-NC0)/(NA0-NA) #A a C

CUMENO DOS RXNS PRIMER EJERCICIO QUE NOS DIÓ

#B.M. PFR
d(E1)/d(V)=r1
d(E2)/d(V)=r2

#B.E.
#dQdV=SUMHCpr # isotérmico

d(T)/d(V)=(SUMHCpr)/(-(SUMnCp+SUMECp)) #adiabático

#Cinética mol/s L
r1=k1*CA*CB
r2=k2*CA*CC

#Ec. ad. B.E.

DCp1=-CpA-CpB+CpC
DCp2=-CpA-CpC+CpD
DHrxnref1=-DH0A-DH0B+DH0C
DHrxnref2=-DH0A-DH0C+DH0D
SUMnCp=nA0*CpA+nB0*CpB+nC0*CpC+nD0*CpD
SUMECp=E1*DCp1+E2*DCp2
SUMHCpr=((DHrxnref1+DCp1*(T-Tref))*r1)+((DHrxnref2+DCp2*(T-Tref))*r2)

#Etq mol/s
nA=nA0-E1-E2
nB=nB0-E1
nC=nC0+E1-E2
nD=nD0+E2
ntot=ntot0-E1-E2

#Ec. ad.
v0=(ntot0*0.08205736*T)/P
v=v0*(ntot/ntot0)

k1=A1*exp(-e1/(Rg*T))
k2=A2*exp(-e2/(Rg*T))

# flujos de entrada al reactor (variable de diseño)

nA0=19.762#mol/s
nB0=39.288
nC0=41.1855
nD0=19.526
ntot0=nA0+nB0+nC0+nD0

CA=nA/v#mol/L
CB=nB/v
CC=nC/v
CD=nD/v

#parámetros de Hform y Cpform

DH0A=4880#cal/mol
DH0B=19820
DH0C=940
DH0D=-18530

CpA=33.2#cal/mol K
CpB=48.57
CpC=83.66
CpD=119.31

#factor pre-exponencial
A1=5.60E+07
A2=4.64E+09

#energía de activación
e1=24900#cal/mol
e2=35080

Tref=298.15#K
Rg=1.9872041#cal/K mol

#condiciones de operación del reactor (variable de diseño)

#T=700 #K
P=10#atm
X=(nA0-nA)/nA0

#Límites de integración

E1(0)=0
E2(0)=0
T(0)=915
V(0)=0#L
V(f)=133.67 # (variable de diseño)

#BALANCE DE MATERIA PFR

d(XA) / d(V) = -(1/na0)*rA
XA(0) = 0
#LÍMITES DE INTEGRACIÓN
V(0) = 0
V(f) = 151.05

#BALANCE DE ENERGÍA PFR

d(T) / d(V) = DHr*(rA)/((sumCp))
T(0) = 350

sumCp=CpA*na0+CpB*nb0
CpA=25 #J/mol
CpB=15
CpC=20

kref=0.035 # (L/mol min) a 273 K

Tref=273 # K
k=kref*exp((-E/R)*((1/T)-(1/Tref)))
kp=k/Keq
E=70000 #J/mol

Kref=25000 #298 K
Keq=Kref*exp((-DHr/R)*((1/T)-(1/Tref2)))
Tref2=298 #K
DHref=(-H0A)+(-H0B)+(2*H0C) #J/mol @25 C

H0A=-40*1000 #J/mol
H0B=-30*1000
H0C=-45*1000

DHr=DHref+DCp*(T-Tref2)
DCp=(-CpA)+(-CpB)+(2*CpC) #J/mol K

R=8.314 #J/mol K

#CINÉTICA
rA=-(k*CA*CB-kp*CC^2)

#ESTEQUIOMETRÍA
na0=20*60 #mol/min
nb0=na0
nc0=0
ntot0=na0+nb0+nc0

na=na0-na0*XA
nb=nb0-na0*XA
nc=nc0+2*na0*XA

ntot=na+nb+nc

#ECUACIONES ADICIONALES
v=ntot*R2*T/P #L/min
P=580.5 #kPa
R2=8314 #L*kPa/mol K

CA=na/v
CB=nb/v
CC=nc/v