Chemical Engineering Department

Course name: Chemical Reaction Engineering

Course number: CME 331
Instructor: Ioannis Zuburtikudis

Discussion # 2

Chapter 2
Conversion and Reactor Sizing
 Conversion: X

𝒎𝒐𝒍𝒆𝒔 𝒐𝒇 𝑨 𝒓𝒆𝒂𝒄𝒕𝒆𝒅
X=
𝒎𝒐𝒍𝒆𝒔 𝒐𝒇 𝑨 𝒇𝒆𝒅

𝐹𝐴0 −𝐹𝐴
X=
𝐹𝐴0

Rearrange to solve for FA:

FA = FA0 – X FA0
FA = FA0 (1 – X)
 Reactor Sizing Using Levenspiel Plots:
 Levenspiel plot is a plot used in CRE to determine the required volume of a CR given
experimental data on the CR taking place in it.
 Given –rA as a function of conversion, -rA= f(X), one can size any type of reactor.
 We plot either FAo/-rA vs X, or
1/-rA vs X

The reactor volume varies with the reciprocal of –rA as a function of X

 Reactor sizing (Levenspiel plots) for different types of reactors:

1) CSTR: The volume of a CSTR is given by the design equation
𝐹𝐴0𝑋
V=
−𝑟𝐴
Since it is an algebraic equation (not differential), the volume is represented by the whole
area around the graph. The rectangular area (Width x Height).

2) PFR: The volume of a PFR is given by the design equation

𝑋 𝑑𝑋
V = 𝐹𝐴0 ∫
0 −𝑟𝐴
Since it is a differential equation, the volume is represented by the area under the curve.
 Numerical evaluation of integrals using Simpson’s rule (3 point rule):

𝑋
𝛥𝑥
∫ 𝑓(𝑥) 𝑑𝑋 = [ 𝑓(𝑥0 ) + 4 𝑓 (𝑥1 ) + 𝑓 (𝑥2 )]
0 3

The terms in Simpson’s rule are as follows:

𝑋2 −𝑋0
1) Δx =
2

Δx is the equidistant segment of the 3 points between X and 0: X0 represents the first point
X1 represents the second point
X2 represents the third point

For example: If X = 0.6, then X0 = 0 and X2 = 0.6

0.6−0
Δx = = 0.3
2

0 0.3 0.6
Δx = 0.3 Δx = 0.3

𝑋 𝐹𝐴0 𝑑𝑋
2) f(x) refers to the function; in this case, f(x) V=∫
0 −𝑟𝐴

The terms inside the brackets [ 𝑓(𝑥0 ) + 4 𝑓 (𝑥1 ) + 𝑓 (𝑥2 )] refer to the function evaluated at
the 3 points of X that are given.
1
That is; what is the value of −𝑟 when X = X0 and when X = X1 and when X = X2
𝐴

 Example for Simpson’s 3 point rule:

X 0 0.4 0.8
FA0 / -rA (m3) 0.89 2.05 8

𝑋 𝛥𝑥
∫0 𝑓(𝑥) 𝑑𝑋 = [ 𝑓(𝑥0 ) + 4 𝑓 (𝑥1 ) + 𝑓(𝑥2 )]
3

0.8−0
Δx = = 0.4
2

So, the 3 points are: X0 = 0

X1 = 0.4
X2 = 0.8
 0.4
V= [ 𝑓 (0) + 4 𝑓(0.4) + 𝑓(0.8)]
3

0.4
V= [ 0.89 + 4 (2.05) + (8)]
3

V = 2.28 m3

 Numerical evaluation of integrals using Simpson’s rule (5 point rule):

𝑋
𝛥𝑥
∫ 𝑓(𝑥) 𝑑𝑋 = [ 𝑓(𝑥0 ) + 4 𝑓(𝑥1 ) + 2𝑓(𝑥2 ) + 4𝑓 (𝑥3 ) + 𝑓(𝑥4 )]
0 3

The terms in Simpson’s rule are as follows:

𝑋4 −𝑋0
Δx =
4

Δx is the equidistant segment of the 5 points between X and 0: X0 represents the first point
X1 represents the second point
X2 represents the third point
X3 represents the fourth point
X4 represents the fifth point

For example: If X = 0.8, then X0 = 0 and X2 = 0.8

0.8−0
Δx = = 0.2
4

0 0.2 0.4 0.6 0.8

Δx = 0.2 Δx = 0.2 Δx = 0.2 Δx = 0.2
  Example for Simpson’s 5 point rule:
X 0 0.1 0.2 0.4 0.6 0.7 0.8
FA0 / -rA (m3) 0.89 1.08 1.33 2.05 3.54 5.06 8.0

𝑋
𝛥𝑥
∫ 𝑓(𝑥) 𝑑𝑋 = [ 𝑓(𝑥0 ) + 4 𝑓(𝑥1 ) + 2𝑓(𝑥2 ) + 4𝑓 (𝑥3 ) + 𝑓(𝑥4 )]
0 3

0.8−0
Δx = = 0.2
4

So, the 5 points are: X0 = 0

X1 = 0.2
X2 = 0.4
X3 = 0.6
X4 = 0.8

𝛥𝑥
V= [ 𝑓(0) + 4 𝑓 (0.2) + 2𝑓 (0.4) + 4𝑓(0.6) + 𝑓(0.8)]
3

0.2
V= [ 0.89 + 4 (1.33) + 2(2.05) + 4(3.54) + 8]
3

V = 2.165 m3

 Note about Simpson’s rule:

Simpson has 3 rules: 3 point rule, 4 point rule, and 5 point (quadrature) rule.
The difference between these rules is the level of accuracy; in which the more points evaluated,
the higher the accuracy.

 Reactors in series:
 Reactors are connected in series so that the exit stream of one reactor is the feed stream for
the subsequent reactor.
 Degree of conversion (X) in series is defined in terms of a location at a point downstream
rather than with respect to any single reactor. That is, X is the total number of moles of A
that have reacted up to that point per mole of A fed to the first reactor.

𝑇𝑜𝑡𝑎𝑙 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝐴 𝑟𝑒𝑎𝑐𝑡𝑒𝑑 𝑢𝑝 𝑡𝑜 𝑠𝑝𝑒𝑐𝑖𝑓𝑖𝑒𝑑 𝑝𝑜𝑖𝑛𝑡

X=
𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝐴 𝑓𝑒𝑑 𝑡𝑜 𝑡ℎ𝑒 𝑓𝑖𝑟𝑠𝑡 𝑟𝑒𝑎𝑐𝑡𝑜𝑟

 This is only valid when only the feed stream enters the first reactor; there are no side
streams either fed or withdrawn.
 CSTR – PFR – CSTR in series:

 PFR – CSTR – PFR in series:

Exercises:
1) An industrial example of reactors in series is shown in the figure below. This sequence is
used to dimerize propylene into isohexanes.

The first 2 reactors are CSTRs and the 3rd reactor is a PFR.
Derive the design equations for each reactor and sketch the Levenspiel plot and shade the
areas corresponding to each reactor.
𝐹𝐴𝑜
 Note: For the sketch, use values of as follows:
−𝑟𝐴

𝐹𝐴𝑜 𝐹𝐴𝑜 𝐹𝐴𝑜

= 20 = 35 = 80
−𝑟𝐴1 −𝑟𝐴2 −𝑟𝐴3

2) For the same flow rate and the given data below, compare the volumes of a mixed flow
reactor with a plug flow reactor to achieve 60% conversion.

x (-) 0 0.2 0.4 0.6 0.8

-rA (mole/m3-sec.) 0.200 0.167 0.100 0.0625 0.0364

3) The reaction described by the data in the table below is to be carried out in a PFR. The
entering molar flow rate of A is 0.4 mol/s.
X 0 0.1 0.2 0.4 0.6 0.7 0.8
FA0 / -rA (m3) 0.89 1.08 1.33 2.05 3.54 5.06 8.0

a) First, use Simpson’s rule to determine the PFR reactor volume necessary to achieve 80%
conversion.
b) Next, shade the area that would give the PFR volume necessary to achieve 80%
conversion.
 c) Finally, make a qualitative sketch of the conversion (X) and the rate of reaction,–rA down
the length (volume) of the reactor.

4) In the presence of a homogenous catalyst of given concentration, aqueous A is converted

to produce at the following rates and CA alone determine the rate of reaction:

CA (mol/L) 1 2 4 6 8 10 12
-rA
0.06 0.1 0.25 1.0 2.0 1.0 0.5
(mol/L.hr)

This reaction run in a batch reactor at the same catalyst concentration as used in getting
the above data. Find the time needed to lower the concentration of A form CAo=10
mol/liter to CAf=2 mole/liter.

5) For two CSTRs in series, 40% conversion is achieved in the first reactor. What is the volume
of each of the two reactors necessary to achieve 80% overall conversion of the entering
species A?
Compare the results with the volume of one CSTR to achieve 80% conversion.

X 0 0.1 0.2 0.4 0.6 0.7 0.8

FA0 / -rA (m3) 0.89 1.08 1.33 2.05 3.54 5.06 8.0
6) For two PFRs in series, 40% conversion is achieved in the first reactor. What is the volume
of each of the two reactors necessary to achieve 80% overall conversion of the entering
species A?
Compare the results with the volume of one PFR to achieve 80% conversion.

X 0 0.1 0.2 0.4 0.6 0.7 0.8

FA0 / -rA (m3) 0.89 1.08 1.33 2.05 3.54 5.06 8.0

7) The isomerization of butane was carried out adiabatically in the liquid phase and the data in
the table below were obtained. Calculate the volume of each reactor for an entering molar
flow rate of n-butane of 50 kmol/hr.
Calculate the total volume for the reactor series.
Sketch the Levenspiel plot and shade each reactor volumes.
The reactor sequence is CSTR – PFR – CSTR.

X 0 0.2 0.4 0.6 0.65

-rA 39 53 59 38 25