Q1b)

# Mole balance of PBR

d(X) / d(W) = -rCprime/Fa0
# In term of x
X(0) = 0
Fa0= Ca0*v0
Ca0= ya0*P0/R*T0
ya0= 1/3
P0= 3 #atm
R = 0.082 #atm mol-1K-1
T0= 300 + 273 #K
v0= 3 #Ls-1

# Rate Law
rCprime= kCprime*Ca*(Cb^0.5)
# Power Law Model For Irreversible
kCprime = 0.16 #m3 kgcat-1s-1

# Stoichiometry
Ca= Ca0*(1-X)*y/(1+e*X)
Cb= Ca0*(2-2/3*X)*y/(1+e*X)
e = ya0*(1+2)-(1+3/2)

# Pressure Drop
d(y) / d(W) = alfa/(2*y)*(1+e*X) #Ergun Equation
y(0) = 3
beta0= ( G*(1-sai)/(gc*rho0*Dp*sai^3)*150*(1-sai)*(miu/Dp)+ (1.75*G))
Ac= 3.1416*(0.07)^2/4
rhoC= 2000 #kg/m^3
rho0= 2.5 #Kg/m^3
Dp= 0.006#m
gc =1
sai = 0.5
miu= 2*10^-5 #kg(m^2)
G= 2
alfa = 2*beta0/ Ac/rhoC/(1-sai)/303975 #Pa
W(0)= 0
W(f)=6486.1621
POLYMATH REPORT

Calculated values of DEQ variables

Variable Initial value Minimal value Maximal value Final value
1 Ac 0.0038485 0.0038485 0.0038485 0.0038485
2 alfa 0.0002339 0.0002339 0.0002339 0.0002339
3 beta0 136.8333 136.8333 136.8333 136.8333
4 Ca 2.096E+04 2.096E+04 1.556E+09 1.556E+09
5 Ca0 6987.805 6987.805 6987.805 6987.805
6 Cb 4.193E+04 2.285E+04 1.037E+09 1.037E+09
7 Dp 0.006 0.006 0.006 0.006
8 e -1.5 -1.5 -1.5 -1.5
9 Fa0 2.096E+04 2.096E+04 2.096E+04 2.096E+04
10 G 2. 2. 2. 2.
11 gc 1. 1. 1. 1.
12 kCprime 0.16 0.16 0.16 0.16
13 miu 2.0E-05 2.0E-05 2.0E-05 2.0E-05
14 P0 3. 3. 3. 3.
15 R 0.082 0.082 0.082 0.082
16 rCprime 6.868E+05 6.868E+05 8.016E+12 8.016E+12
17 rho0 2.5 2.5 2.5 2.5
18 rhoC 2000. 2000. 2000. 2000.
19 sai 0.5 0.5 0.5 0.5
20 T0 573. 573. 573. 573.
21 v0 3. 3. 3. 3.
22 W 0 0 6486.162 6486.162
23 X 0 -3.726E+11 0 -3.726E+11
24 y 3. 3. 3.339E+05 3.339E+05
25 ya0 0.3333333 0.3333333 0.3333333 0.3333333

Differential equations
1 d(X)/d(W) = -rCprime/Fa0
2 d(y)/d(W) = alfa/(2*y)*(1+e*X)
Ergun Equation

Explicit equations
1 v0 = 3
Ls-1

2 T0 = 300 + 273
K

3 ya0 = 1/3
4 P0 = 3
atm
5 R = 0.082
atm mol-1K-1

6 Ca0 = ya0*P0/R*T0
7 Fa0 = Ca0*v0
8 e = ya0*(1+2)-(1+3/2)
9 kCprime = 0.16
m3 kgcat-1s-1

10 Cb = Ca0*(2-2/3*X)*y/(1+e*X)
11 Ca = Ca0*(1-X)*y/(1+e*X)
12 rCprime = kCprime*Ca*(Cb^0.5)
13 G = 2
14 Ac = 3.1416*(0.07)^2/4
15 rhoC = 2000
kg/m^3

16 rho0 = 2.5
Kg/m^3

17 Dp = 0.006
m

18 gc = 1
19 sai = 0.5
20 miu = 2*10^-5
kg(m^2)

21 beta0 = ( G*(1-sai)/(gc*rho0*Dp*sai^3)*150*(1-sai)*(miu/Dp)+ (1.75*G))

22 alfa = 2*beta0/ Ac/rhoC/(1-sai)/303975
Pa

General
Total number of equations 24
Number of differential equations 2
Number of explicit equations 22
Elapsed time 1.157 sec
Solution method RKF_45
Step size guess. h 0.000001
Truncation error tolerance. eps 0.000001
Q2)

d(Nb) / d(t) = Fb0 + rb* V

Nb(0) = 0.1
d(Na) / d(t) = ra*V
Na(0) =10

# Rate Law
ra = -k* Ca* Cb
rb = ra
k= 0.1 # L/mol/min

# Stoichiometry
Ca = Fa/v
Cb = Fb/v
Fa = Na*v/V

Fb = Nb*v/V
t(0)=0
t(f)=100
Ca0 = Fa0/v0
Cb0 = Fa0/v0
v=v0
v0 = 1 #L/min
V= 10 #L
Fa0=1
Fb0 = Fa0

POLYMATH REPORT

Calculated values of DEQ variables

Variable Initial value Minimal value Maximal value Final value
1 Ca 1. 8.646E-19 1. 8.646E-19
2 Ca0 1. 1. 1. 1.
3 Cb 0.01 0.01 9.01 9.01
4 Cb0 1. 1. 1. 1.
5 Fa 1. 8.646E-19 1. 8.646E-19
6 Fa0 1. 1. 1. 1.
7 Fb 0.01 0.01 9.01 9.01
8 Fb0 1. 1. 1. 1.
9 k 0.1 0.1 0.1 0.1
10 Na 10. 8.646E-18 10. 8.646E-18
11 Nb 0.1 0.1 90.1 90.1
12 ra -0.001 -0.0468305 -7.79E-19 -7.79E-19
13 rb -0.001 -0.0468305 -7.79E-19 -7.79E-19
14 t 0 0 100. 100.
15 v 1. 1. 1. 1.
16 V 10. 10. 10. 10.
17 v0 1. 1. 1. 1.
Differential equations
1 d(Nb)/d(t) = Fb0 + rb* V
2 d(Na)/d(t) = ra*V

Explicit equations
1 v0 = 1
L/min

2 v = v0
3 k = 0.1
L/mol/min

4 V = 10
L

5 Fb = Nb*v/V
6 Fa = Na*v/V
7 Ca = Fa/v
8 Cb = Fb/v
9 Fa0 = 1
10 Ca0 = Fa0/v0
11 ra = -k* Ca* Cb
12 rb = ra
13 Cb0 = Fa0/v0
14 Fb0 = Fa0

General
Total number of equations 16
Number of differential equations 2
Number of explicit equations 14
Elapsed time 0.000 sec
Solution method RKF_45
Step size guess. h 0.000001
Truncation error tolerance. eps 0.000001