Isothermal Reactor Design Part 1: Mole Balances in Terms of Conversion

4.
ISOTHERMAL REACTOR DESIGN
Part 1: Mole Balances in Terms of

Conversion
Algorithm for Isothermal Reactor Design
1
Problem 4.1.
Gas phase reaction: 2A → B is second order
with k = 10 L/gmol.det. T0 = 500 K; P0 = 8,2
atm. The feed is pure A. X = 0,9. Calculate:
a. t if the reaction is carried out in a constant
volume batch reactor.
b.VCSTR if FA0 = 5 gmol/det, T and P constant.
c. VPFR if FA0 = 5 gmol/det, T and P constant.
Solution:
Reaction: A → 0,5B
−r A =kC 2A
X (t ) dX
t=N A 0 ∫0
a. For batch reactor: −r A V
C A =C A 0 ( 1− X ) ;
y A 0 P0
C A 0= =0,2 gmol /L
RT 0
X (t ) dX X ( t ) dX
t=N A 0 ∫0 =C A 0 ∫0
−r A V kC 2A 0 (1−X )2
1 1
¿
[
kC A 0 1− X ]
−1 =4,5 sec
b. V = 340 L
c. V = 45.33 L
2
Reversible Reactions
To determine the conversion or reactor volume
for reversible reactions, one must first calculate
the maximum conversion that can be achieved at
the isothermal reaction temperature, which is the
equilibrium conversion, Xe.
Problem 4.2.
Determine volume of a PFR with no pressure
drop for a gas phase, isothermal reaction, when
X = 0.8 Xe.
Reaction Additional Information

CA0 = 0.2 mol/dm3 k = 2 dm3/mol∙min
KC = 100 dm3/mol FA0 = 5 mol/min
Part 2: Measures Other Than Conversion

Liquids: Use concentrations, i.e. CA
For flow reactors:
FA F A
C A= =
v v0
For batch reactors:

NA NA
C A= =
V V0
Example:
3
For the elementary liquid phase reaction
carried out in a CSTR, where V, v 0, CA0, k, and
KC are given and the feed is pure A, the
combined mole balance, rate laws, and
stoichiometry are:
There are two equations, two unknowns, C A and

CB
Gases: Use Molar Flow Rates, i.e. FI
F T P0 T FT P0 T
v =v 0
( )( )( ) ( )( )( )
FT 0 P T 0
=
CT 0 P T0
FT 0 P0
CT 0= =
v0 Z 0 RT 0
FA FA P T0
C A = =C T 0
v ( )( )( )
FT P0 T
Example:
If the above reaction, , is carried out in
the gas phase in a PFR, where V, v0, CA0, k, and
KC are given and the feed is pure A, the
4
combined mole balance, rate laws, and
stoichiometry yield, for isothermal operation
(T=To) and no pressure drop (ΔP=0) are:
Selectivity and Yield:

D = Desired product
U = Undesired product
A = The key reactant
Instantaneous Overall
Selectivity
Yield
5
desired product ,
Example:
rD=k1CA2CB
undesired product
, rU=k2CACB2
To keep the selectivity of the desired products

high with respect to the undesired products carry
out the reaction at high concentrations of A and
low concentrations of B. If the reactor is liquid
phase, a high selectivity can easily be achieved
using a semibatch reactor in which B is fed
slowly to A.
To use conversion as the variable, the reactant

that starts in the reactor is always the limiting
reactant.
Example
6
desired product , rD=k1CA2CB
undesired product , rU=k2CACB

:
To maximize the selectivity of D
with respect to U run at high
concentration of A and use PFR
Example: Paralel Reaction
The net rate of disappearance of A

−r A =r D +r U Instantaneous selectivity
If α > β use high concentration of A. Use PFR.

If α < β use low concentration of A. Use CSTR.
Exercises:
1. The elementary gas phase reaction
takes place in a CSTR at constant temperature

(500 K) and constant pressure (16.4 atm). The
feed is equal molar in A and B. The total feed is
10 mol/s. k = 10 L2/mol2∙s. Determine volume of
7
the CSTR when the limiting reactant conversion
is 0.9.
2. Repeat Problem 1 if the reaction takes place
in a PFR. Determine the volume of the PFR.
3. Repeat Problem 1 if the reaction takes place

in a Constant Volume Batch Reactor. Determine
the time to reach the limiting reactant conversion
0.9. What is the final pressure of the reactor?
4. The following reaction follows an

elementary rate law
Initially 77% N2, 15% O2, 8% inerts are fed to a

batch reactor where 80% of the equilibrium
conversion (Xe = 0.02) is reached in 151 μs.
What is the specific reaction rate constant k1?
Additional Information
5. What are wrong with this solution?

Problem:
The elementary gas phase reaction
3A + 2B  3C + 5D
8
is carried out in a flow reactor operated
isothermally at 427°C and 28.7 atm. Pressure
drop can be neglected. Express the rate law and
the concentration of each species as a function
of conversion and as a function of the total
molar flow rates. The entering volumetric flow
rate is 10 dm3/s and the specific reaction rate is
200 dm12/mol4∙s. The feed is equal molar in A
and B.
Solution
3A + 2B  3C + 5D
A is the limiting reactant
Equal molar yA0 = 0,5
9
In terms of molar flow rates
10

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4.

ISOTHERMAL REACTOR DESIGN

Part 1: Mole Balances in Terms of

Algorithm for Isothermal Reactor Design

Reaction Additional Information

Part 2: Measures Other Than Conversion

For batch reactors:

There are two equations, two unknowns, C A and

Selectivity and Yield:

To keep the selectivity of the desired products

To use conversion as the variable, the reactant

undesired product , rU=k2CACB

The net rate of disappearance of A

If α > β use high concentration of A. Use PFR.

takes place in a CSTR at constant temperature

3. Repeat Problem 1 if the reaction takes place

4. The following reaction follows an

Initially 77% N2, 15% O2, 8% inerts are fed to a

5. What are wrong with this solution?

Equal molar yA0 = 0,5

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