Uneversity of Tripoli

Faculty of Engineering
Chemical Engineering Department

Advanced Mathematic for Chemical Engineering

Case Study for Mathematical Modeling in

A Constant Volume Batch Reactor

Name: Zaineb Farag Abdallah

Dr. Hamza Khalaf Allah

Department
Chemical Engineering Department

2023
Abstract
Mathematical modeling describes a process and an object by use of the mathematical
language. A process or an object is presented in a" pure form"
Mathematical modeling of processes is a based on the probability theory. The form of
the solution is one unknown to a system of linear algebraic equation, both ordinary
and partial differential equation.
In this case, we descript the way to model a batch reactor for a constant volume by
using the mole balance for a first order reaction for to concentration A and B.

1. Introduction
A batch reactor is a reactor in which reactants are mix together and the reaction is
allow proceeding for a given time in a closed vessel with no inlet or outlet flows.
Provision for mixing, heating or cooling of the reactants may be required.
A batch reactor is normally use for small-scale operation, testing new processes, the
manufacture of expensive products, and processes difficult to convert to continuous.
Batch reactor is used extensively in industries where only small quantities of product
is made, such as pharmaceuticals.
The advantage is that high conversions is achieved due to leaving the reactants in
reactor.
We often used batch rector in chemical petrochemical or biochemical industry, for the
production of various quality products.
Batch reactor is operate with all the material placed in the reactor prior to the start of
reaction, and all the material is remove after the reaction has been complete.

Mole Balance Applied to Batch Reactor .2

…Form the mole balance
rate generation [ + ]rate of flow of outlet i mole/time[ -]Rate flow of inlet i mole/time[
]rate accumulation of i mole/time[ = ]of i mole/time

ni ( v ) −ni ( v +∆ v ) +r i ∆ v =∆∋ ¿ ¿
∆t
ni ( v ) ni (v +∆ v )=0 For a batch reactor inflow or out flow in a batch reactor so

The equation can be limit for N i=N i0 t=0

dNi
ri v =
dt
N i=C i v For
…The equation will be
dci
r i v =v
dt
For constant volume
dci
Ri=
dt

In this case
Ak 1Bk 2C
→ →

Figure1: batch reactor sketch

2.1 Objective
Finding a solution of the differential equation describing CB (t) for n=1, m= 1.

Assumptions 2.2
In order to model a batch reactor we need to make the assumption
At any given time, the reactions are well mix so that the composition, temperature and
pressure are the same everywhere in the reactor.
Consider the first order, irreversible reaction .
The reaction rate per unit reaction volume are described by
 n n m
R A =K 1 C A , R B=K 1 C A −k 2 C B

For n=1, m=1

The linear case is describe by ….

dCA
=−k 1 CA →(1)
dt

CA=CA 0 exp (−k 1 t )

dCB
=k 1 CA−k 2 CB → ( 2 )
dt

By dividing the two equation (1, 2) to find…

( )
dCB k 2 CB
=−1+
dCA k 1 CA

For a homogeneous form….

CA
V=
CB

dCB dV
=CA +V
dCA dCA

dV k2
CA +V =−1+ (V )
dCA k1

dV k2
CA =−1+ ( V ) −V
dCA k1

dV dCA
∫ =∫

[ ( )] K2 CA
−1+ −1 V
K1
By integration noting V=0 where CA=CA 0 as an initial condition

( )
K1
CA K1 CA −1
= [1− K2
]
CB K 2−K 1 CA 0

Figuer2: a plot to the concentration A, B, C [3]

3. Conclusions
Using mathematical model allows evaluating the differential equation of
concentration of compound B based on the mole balance and assumption that help as
to have a simple model.

4. References
[1] Applied Mathematics and Modeling for Chemical Engineers, Richard G. Rice
Louisiana State University, Duong D. Do University of Queensland St. Lucia,
Queensland, Australia.
[2] Chemical Reaction Engineering 2013, Thomas Rodgers.
[3] Contributed by: Rachael.Baumann (June 2013) University of Colorado Boulder
department of chemical and biological engineering