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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

= 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:

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

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

= 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+)

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

dX 1 1 1 0 (1) 0

= (1 [ ( )] (1+)

dW VA0 1

( )+( )(() )

=

( + )

Polymath report:

The conversion increases as the weight of the

catalyst inside the packed bed reactor increases.

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:

=

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:

catalyst

catalyst inside the packed bed reactor increases.

catalyst inside the packed bed reactor increases.

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.

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

RKF45 with boundary conditions:

Answers: which accounted the temperature of the

coolant.

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:

The pressure decreases as the weight of the

catalyst inside the packed bed reactor increases.

flow with mc = 0.2 kg/s, CpC = 5,000 J/kg K and

an entering coolant temperature of 50 C.

Solution:

The Polymath program used a numerical

integration algorithm called Runge-Kutta-

Fehlberg (RKF45) which solves numerical

problems of ordinary differential equations.

Equations used:

=

co-current flow formula is given:

( ))

=

The conversion increases as the weight of the

catalyst inside the packed bed reactor increases.

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:

=

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.

( ))

=

coolant.

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:

The temperature of coolant decreases as the weight

of catalyst increases.

Figure 1.8 Conversion vs Weight of the catalyst

the packed bed reactor increases.

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.

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.

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