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PROBLEM STATEMENT GIVEN & FLOWCHART

The elementary irreversible gas-phase reaction PBR with jacketing heat exchanger
A B + C is carried out adiabatically in a PBR
packed with a catalyst. Pure A enters the reactor
at a volumetric flow rate of 20 drn3/s at a
pressure of 10 atm and a temperature of 450 K.
The heat is removed by a heat exchanger
jacketing the reactor. The flow rate of coolant
through the jacket is sufficiently high that the
ambient exchanger temperature is constant at Ta
= 50 C.
Additional information:
HAO (273 K) = -70 kJ/mol
HBO (273 K) = -50 kJ/mol
HCO (273 K) = -40 kJ/mol
CPA = 40J/mol-K
CPB = 25 J/mol-K
CPC = 15 J/mol-K Additional information:
E 1 1
k = 0.133 exp[R(450 T) HAO (273 K) = -70 kJ/mol
E = 31.4 kJ/mol HBO (273 K) = -50 kJ/mol
Ua J HCO (273 K) = -40 kJ/mol
= 0.08 skgcatK CPA = 40J/mol-K
a
CPB = 25 J/mol-K
CPC = 15 J/mol-K
E 1 1
REQUIRED k = 0.133 exp[R(450 T)
a) Plot the temperature and conversion E = 31.4 kJ/mol
profiles for this PBR Ua J
= 0.08 skgcatK
a
b) How would the profiles change if Ua/
were increased by a factor of 3000? Conditions:
c) Plot the pressure profile if there is a Adiabatic
pressure drop with = 0.019 1? non-isothermal
gas phase
d) Plot the temperature and conversion
irreversible reaction A B + C
profile for co-current flow with mc = 0.2
kg/s, CpC = 5,000 J/kg K and an entering
coolant temperature of 50 C.
e) Plot the temperature and conversion
profile for co-current flow with mc = 0.2 SOLUTION
kg/s, CpC = 5,000 J/kg K and an entering
coolant temperature of 50 C.
(a) Plot the temperature and conversion profiles
f) Find X and T for a fluidized CSTR
for this PBR
with 80 kg of catalys
Energy balance:
Mole balance
For a PBR:
dX rA
=
dW FA0

Rate law:
A B + C
For a first order reaction:

= kCA

Where k is:
1 1
= 1 [ ( )]
1

Stoichiometry:
For a gas phase reaction:
0 (1) 0
= (1+)

Combine:
from mole balance:
dX rA
=
dW FA0

from rate law and stoichiometry:


= kCA
0 (1) 0
= (1+)

1 1 0 (1) 0
= [ ( )]
1 (1+) Differential equation for energy balance balance

( )+( )(() )


= ( + )
Combining mole balance, rate law and
stoichiometry equation:

Differential equation for mole balance

dX 1 1 1 0 (1) 0
= (1 [ ( )]
dW VA0 1 (1+)
Parameter evaluation and Algorithm: Equations used:
1) Ordinary Differential Equation
calculate the parameters

= =
= 40 + 50(1) (70)
= 20 /

=
= [15(1) + 25(1)] 40(1) = 0

evaluate rate constant expression:


Solved using numerical integration called
1 1 RKF45 with boundary conditions:
= 0.133 [ ( )]
1 x(0)=0 , T(0) = 450, W(0)=0, W(f)=50

31400 1 1 Program results:


= 0.133 [ 8.314 (450 )]
The Polymath program used a numerical
integration algorithm called Runge-Kutta-
evaluate rate law expression: Fehlberg (RKF45) which solves numerical
problems of ordinary differential equations.
= kCA
1 1 0 (1) 0
= [ ( )] Polymath code:
1 (1+)

31400 1 1 1013250(1) 450


= . 133 [ 8.314 (450 )] 8.314450(1+)

For the final equation (mole balance):


dX 1 1 1 0 (1) 0
= (1 [ ( )] (1+)
dW VA0 1

for the final equation (energy balance)



( )+( )(() )

=
( + )
Polymath report:

Figure 1.2 Conversion vs Weight of the catalyst


The conversion increases as the weight of the
catalyst inside the packed bed reactor increases.

(b) repeat (a) with Ua/ increased by a factor


of 3000?

Solution:
Algorithm
Same equations from a) are used in this part. The
only difference is that Ua/ were increased by a
factor of 3000.

Equations used:
1) Ordinary Differential Equation
Answers:
=

Solved using numerical integration called


RKF45 with boundary conditions:
x(0)=0 , T(0) = 450, W(0)=0, W(f)=50
Figure 1.1 Temperature vs. Weight of catalyst
The Temperature decreases as the weight of
the catalyst in the packed bed reactor increases.
Program results
Polymath code: Answers:

Polymath report: Figure 1.3 Temperature vs Weight of the


catalyst

The temperature decreases as the weight of the


catalyst inside the packed bed reactor increases.

Figure 1.4 Conversion vs Weight of the catalyst

The conversion increases as the weight of the


catalyst inside the packed bed reactor increases.

Comparison of increased the Ua/ by 3000 to


original Ua/ :
It can be observed that increasing overall heat
transfer coefficient results to longer time to
utilize the catalyst since lower temperature is x(0)=0 , T(0) = 450, W(0)=0, W(f)=50, P(0) =
1013250
needed to fully utilize the 50 kg catalyst. The
conversion is also decreased by this variation.
Program results:
Polymath code:
1
(c) Repeat (a) with pressure drop of = .019 ?
Solution
Same equations from a) are used in this part. The
pressure drop = .019 1 is accounted with
differential equation of


= ( ) 0 (1 + )
2 0
0
which is the formula given for PBR.

Algorithm Polymath report:


The Polymath program used a numerical
integration algorithm called Runge-Kutta-
Fehlberg (RKF45) which solves numerical
problems of ordinary differential equations.

Equations used:
1) Ordinary Differential Equations

=


= ( ) 0 (1 + )
2 0
0

0.019 1013250
= ( ) (1 + )
2 450 /1013250

Solved using numerical integration method


RKF45 with boundary conditions:
Answers: which accounted the temperature of the
coolant.

Solved using numerical integration method


RKF45 with boundary conditions:
x(0)=0 , T(0) = 450, W(0)=0, W(f)=50, P(0) =
1013250, Ta(0) = 323

Program results:
Polymath code:

Figure 1.4 Pressure vs Weight of the catalyst


The pressure decreases as the weight of the
catalyst inside the packed bed reactor increases.

(d) Repeat (a) for a counter co-current coolant


flow with mc = 0.2 kg/s, CpC = 5,000 J/kg K and
an entering coolant temperature of 50 C.

Solution:

Algorithm Polymath report:


The Polymath program used a numerical
integration algorithm called Runge-Kutta-
Fehlberg (RKF45) which solves numerical
problems of ordinary differential equations.

Equations used:

1) Ordinary Differential Equations



=

Same equations from a) are used in this part. The


co-current flow formula is given:


( ))

=

The conversion increases as the weight of the
catalyst inside the packed bed reactor increases.

e) Repeat (a) for a counter counter-current


coolant flow with mc = 0.2 kg/s, CpC = 5,000
J/kg K and an entering coolant temperature of 50
C.

Solution:

Algorithm
The Polymath program used a numerical
Answers: integration algorithm called Runge-Kutta-
Fehlberg (RKF45) which solves numerical
problems of ordinary differential equations.

Equations used:

1) Ordinary Differential Equations



=

Figure 1.5 Temperature vs Weight of the


catalyst
Same equations from a) are used in this part. The
The temperature of coolant increases as the counter-current flow formula is given:
weight of the catalyst inside the packed bed
reactor increases.
( ))

=

which accounted the temperature of the


coolant.

Solved using numerical integration method


RKF45 with boundary conditions:
Figure 1.6 Conversion vs Weight of the catalyst
x(0)=0 , T(0) = 450, W(0)=0, W(f)=50, P(0) =
1013250, Ta(0) = 323
Program results:

Polymath code:

Answers:

Polymath report:

Figure 1.7 Temperature vs Weight of the catalyst


The temperature of coolant decreases as the weight
of catalyst increases.
Figure 1.8 Conversion vs Weight of the catalyst

The conversion increases as the catalyst inside


the packed bed reactor increases.

Comparison of co-current and counter-current


flow of coolant:
It can be observed that in co-current flow, the
temperature of coolant increases as the weight of
the catalyst increases while in counter-current
flow, the temperature of coolant decreases as the
weight of the catalyst increases.

SIGNIFICANCE OF THE STUDY

Heat effects are studied in this paper. Proper


design of the reactors should be considered to be
efficient, to obtain high conversion, yield and
selectivity at appropriate volume of reactor. Mole
and energy balance for adiabatic non-isothermal
PBR is derived and performed.