PROWESS T NGWENYA

N0187836W
SMA 2116 MINI-PROJECT

◼ TITLE: CONVERSION IN REACTORS

◼ INTRODUCTION
Mathematical modelling is very essential when it comes to reac-
tor sizing and optimization. The branch of chemical engineering
reactions is a branch which mostly deals with the study of reac-
tion rates and reactor design. Chemical reaction engineering
differentiates the chemical engineer from the rest of the engi-
neers in other engineering disciplines. This project focuses on
finding the reactor which achieves the highest overall conver-
sion. Two options are considered, (1) a plug-flow reactor and (2)
a continuous stirred tank reactor. The conversion of a species A
in a reactor is equal to the number of moles of A reacted per
mole of A fed to a reactor. It is a measure of the reaction’s
progress towards completion. Design equations of reactors are
very essential when conversion is concerned. The reactors con-
sidered for this project are the Continuous Stirred Tank Reactor
2 Prowess T Ngwenya SMA 2116 Project.nb

(CSTR) and the Plug-Flow reactor (PFR). These are the most com-
monly used reactors in industry.

◼ PROBLEM STATEMENT
Consider a first order reaction A→B, the rate equation is given
by the rate equation, -rA= kC2A, where -rA is the rate of disappear
ance of A, k is the second order rate constant, CA is the final con-
centration of A.
The design equation of a continuous stirred tank reactor in
terms of conversion is given by;

FA0 XCSTR
V= - rA
FAo XCSTR
= kC2A
where FAo is the molar flow rate of A into the continuous stirred
tank reactor in moles/seconds, XCSTR is the overall conversion
that can be achieved by the CSTR.
The design equation of the plug-flow reactor is given by;

X F
V = ∫0 PFR -Aor ⅆX
A
X F
= ∫0 PFR kCAo2 ⅆX
A

where V is the volume of the Plug-Flow reactor in cubic decime-

ters, XPFR is the overall conversion that can be achieved by the
PFR.
The particular reaction of interest here is the reaction involved
in the manufacture of nylon.
 Prowess T Ngwenya SMA 2116 Project.nb 3

The volumes of the CSTR and the PFR can be modelled by using
triple integrals with cylindrical coordinates, i.e.

Volume= ∫ ∫ ∫ ⅆV
where dV = rdzdrdθ
A chemical plant desires to know the best reactor to use
between a Plug-Flow reactor and a Continuous stirred tank reac-
tor.The problem to be addressed here is to find the most suit-
able reactor to achieve the highest overall conversion.

◼ AIM
To find out which reactor achieves the highest overall conver-
sion

◼ OBJECTIVES
1. To determine the overall conversion for a continuous stirred
tank reactor
2. To determine the overall conversion for a plug-flow reactor.
3. To determine the reactor with the highest overall conversion.
4.To determine the reactor best suited for the highest conver-
sion of a reactant.

◼ SIGNIFICANCE

The conversion of a reactor is very essential in chemical indus-

try. Chemical engineers always aim to choose a reactor that has
4 Prowess T Ngwenya SMA 2116 Project.nb

the highest overall conversion. Conversion is important when

one wants to size a reactor. Thus conversion is one of the vari-
ables considered when designing a reactor. Conversion is gener-
ally a measure the extent a reactor can convert reactants to prod
ucts.
The most important unit operation in a chemical process is gen-
erally a chemical reactor. Continuous stirred tank reactors are
used in many chemical experiments. The CSTR is the most basic
of the continuous reactors used in chemical processes. The
CSTR is an open system that operates on steady state basis.
Reactants are continuously introduced into the reactor while
the products are continuously removed. In practice rapid reac-
tions with reactive intermediates and products can be scaled up
in the laboratory using continuously stirred tank reactors.
According to Industrial Tomography Systems, A CSTR consists of
a stirred vessel that is heated in a controlled profile, stirred and
after a fixed time cooled and discharged. They are widely used
throughout the world wide process industries. CSTRs can be
used in the generation of electricity and biogas from the waste
water of a chemical plant, city sewage and animal manure
where the content of organic waste is high. The fermentation of
liquid and generation of biogas are made in an air-tight tank. A
stirring device is installed in the digester so that the fermented
material and microorganism are well mixed. The feeding of mate-
rial is continuous or half-continuous under stable temperature.
The newly fed material is stirred and mixed with the bacteria in
 Prowess T Ngwenya SMA 2116 Project.nb 5

the fermented liquid, resulting in the comparatively low density

of the fermentation substrates. CSTRs are well mixed so the con-
tents have relatively uniform properties (temperature, density,
etc) throughout. The conditions in the reactor’s exit stream are
the same as those inside the tank. There are some advantages
of the continuous stirred reactor such as low capital cost and
the potential flexibility to make more than one product. The
temperature control is easily maintained. It is also cheap to con-
struct and the reactor has a large heat capacity. The interior of
the reactor can be easily accessed. However there are some dis-
advantages such as variations in the degree of mixing and the
fact that the reaction conditions vary throughout the batch tend-
ing to result in the creation of waste products.Low capital cost
can be an advantage but it is important to know the number of
reactors that should be used in series in order to optimize the
cost of a specific CSTR. A large amount of money can be saved
by finding the optimum number of reactors.

The Plug-Flow Reactor is a tubular reactor, as the plug flows

down the reactor the reaction takes place, resulting in an axial
concentration gradient. They range from a few centimeters to
several meters. The choice of diameter is based on construction
cost, pumping cost and heat transfer needs. PFRs have a wide
variety of applications in either gas or liquid phase systems. Com
mon industrial uses of tubular reactors are in gasoline cracking,
synthesis of ammonia from its elements and the oxidation of
6 Prowess T Ngwenya SMA 2116 Project.nb

sulfur trioxide.

Conversion of a reactor is related to the volume of a reactor.

Chemical engineers always want to optimize industrial pro-
cesses by maintaining minimum costs in the production line.
The knowledge of the overall conversion that can be achieved
by a reactor is important in cost analysis. A suitable reactor can
be chosen based on the highest overall conversion it can
achieve. It is always a wise move to consider a reactor with the
highest overall conversion. The other thing is that with a reactor
with high overall conversion, the reaction can be carried out
once, unlike in a reactor with a low conversion where the prod-
ucts will have to be recycled back to the reactor for further con-
version.

◼ METHODOLOGY
The problem to be addressed is whether to use a plug-flow reac-
tor or to use a continuous stirred tank reactor.
There are two possible options to resolve this problem:
1. A plug-flow reactor
2. A continuous stirred tank reactor

A comparison of the two options needed to find which of the

two options above is better suited for a particular environment.
Continuous stirred tank reactors are approximately cylindrical
in shape, hence the use of the triple integrals in cylindrical coor-
 Prowess T Ngwenya SMA 2116 Project.nb 7

dinates to compute the volume.

For the computation of the continuous stirred tank reactor vol-

ume, the following parameters are defined:

1. radius of reactor = 3000 decimeters

2. height of reactor = 5000 decimeters

In cylindrical coordinates, the limits are as follows

0⩽r⩽3000
0⩽ⅇ⩽2Π
0⩽z⩽5000
The Plug-Flow reactor is also approximately cylindrical, hence
the use of the triple integral to compute the volume.
For the computation of the Plug-Flow reactor volume, the follow-
ing parameters are defined:
1. radius of the reactor = 2000 decimeters
2. length of the reactor = 8000 decimeters

In cylindrical coordinates, the limits are as follows:

0⩽r⩽2000
0⩽θ⩽2Π
0⩽z⩽8000
8 Prowess T Ngwenya SMA 2116 Project.nb

There are variables which are assigned values, the molar flow
rate FAo = 100 moles/second, the second order specific rate con-
stant, k = 0.03 dm3/ moles*seconds, the final concentration of
the reactant A, CA = 0.0001 moles/ dm3.

We will start of with the computation of the CSTR volume. Then

after that find the overall conversion of the reactor

2 Π 2000 4000
VCSTR=   rⅆzⅆrⅆθ
0 0 0

16 000 000 000 Π

FAo = 100
k = 0.03
CA = 0.0001

VCSTR × k × C2A
XCSTR =
FAo
100

0.03

0.0001

0.048 Π

The second option is to compute the volume of the Plug-Flow reactor.

2 Π 2000 8000
VPFR=   rⅆzⅆrⅆθ
0 0 0
FAo=100
k=0.03
CA=0.0001
 Prowess T Ngwenya SMA 2116 Project.nb 9

32 000 000 000 Π

100

0.03

0.0001

XPFR
FAo
vPFR =  ⅆx
0 k × C2A
3.333333333333334`*^11 XPFR

Solve[
3.333333333333334`*^11 XPFR ⩵ 32 000 000 000 Π, XPFR]
{{XPFR → 0.09599999999999999` Π}}

◼ RESULTS

The overall conversions for the reaction at interest were com-

puted using a mathematical package, Mathematica in this case.
The conversions were computed on the basis of some standard
reactor design equations. The conversion for the Continuous
Stirred Tank Reactor was computed and was found to be 0.048Π
which is approximately 0.15. The overall conversion for the Plug-
Flow reactor was computed and was found to be 0.096Π which
is approximately 0.30.

◼ RECOMMENDATIONS
This project could have been improved by considering other
orders of reaction such as first order, and third order and com-
10 Prowess T Ngwenya SMA 2116 Project.nb

paring the results at the end. The other thing to consider is

using maintaining standard conditions during the progress of
the reaction.

◼ CONCLUSION
After some computing, it was found from the results that the
Plug-Flow Reactor has a higher overall conversion than a Contin-
uous Stirred Tank Reactor. This agrees with theory because it is
said that the PFR produces the highest conversion per reactor
volume of any of the flow reactors.

◼ REFERENCES
BOOKS

Elements of Chemical Reaction Engineering 4th Ed - H. Scott

Fogler

[H._Scott_Fogler]_Elements_of_Chemical_Reaction_En(z-
lib.org)

Larson, Hostetler, Edwards. Calculus: Early Transcendental Func-

tions. Fourth Edition.
Houghton Mifflin Company. Boston, MA (2007).

WEBSITES
 Prowess T Ngwenya SMA 2116 Project.nb 11

ibiblio - The Public’s Library and Digital Archive. “Continuous

Stirred Tank Reactor”:
http://www.ibiblio.org/links/devmodules/cstr/index.html

Industrial Tomography Systems. “Fine Chemicals”:

http://www.itoms.com/fine_chemicals