Batch Reactor Models: Batch reactors are used in batch processes.

Batch processes are

suited to small production rates, to long reaction times, or to reactions, where they may
have superior selectivity, as in some polymerizations.
They are conducted in tanks with stirring of the contents by internal impellers, gas bubbles
or pump around. Control of temperature is done with the help of jackets, reflux condensers
or pump around through an exchanger.
Batch processes are currently used in the chemical and food process industries. Their
automation and optimization pose difficult issues mainly because it is necessary to operate
concurrently with countinous (algebric or differential equations) and discrete (state
machines) models. Andreu et al14, have tried to analyse how techniques developed in the
field of discrete manufacturing systems (DMS) can be extended to batch systems.
A semi-batch reactor is operated with both continuous and batch inputs and outputs. A
fermentor, for example, is loaded with a batch which constantly produces carbon dioxide,
which has to be removed continuously. Similarly, in a reaction like chlorination, where one
of the reactant is gas (chlorine), if it is introduced continuously, most of it bubbles off,
therefore a continuous feed of gas is injected into the batch of a liquid.
Large daily production rates are mostly conducted in continuous equipment, either in a
series of stirred tanks or in units in which some degree of plug flow is attained.
2.1 Batch Reactor
The ideal batch reactor is assumed to be perfectly mixed. This implies that at a given moment in time
the concentration is uniform throughout the vessel. The volume, V in the development below is
assumed equal to the volume of the reaction mixture. This is then equal to the reactor volume V R in
case of gas phase reaction but not in case of liquids (V< VR, then). The batch reactor can be an autoclave
of V = const (Figure 2.1-a) and a constant pressure, P = const) (Figure 2.1-b) vessel. The former is
almost always encountered in practice.

Our goal is:

a) To find a relationship between species concentration (reactant conversion) and time on stream.
b) To relate reactor size and production rate.
Let us consider a single irreversible reaction A  P with an n-th order irreversible rate of reaction
 RA  kCAn (2-2)

At t = 0 a batch of volume V is filled with fluid of concentration CAo. Reaction is started (nAo= CAoVo).
Find how reactant conversion depends on reaction time? Also determine the production rate as a
function of reaction time.
We apply (eq 2-1) to reactant A:
dnA d(VCA )
0  0  (RA V)   (2-3)
dt dt

a) V = const b) P = const

FIGURE 2-1: Schematic of Batch Reactors

 C 1n
t Ao
k(1 n)
1 (1 x A )1n  (2-8a)

or
1
n1 (1 x A ) 1
1n
t (2-8b)
k(n 1)CAo

Once order of reaction, n, is specified (as shown below for n=0, 1, 2, 1.5), the relation between t and x A
is readily found
n0 n 1 n2
CA ox A 1 1 1  1  (2-9)
t t n t 1
k k 1 x A kCA o 
1 x A 


1  1 
n  1.5; t  0.5  1
0.5k C Ao (1 x A ) 

Production Rate of Product P can be related by stoichiometry to he consumption rate of A as

mol  F x
FP   Ao A
 s  1

The production rate of P is given by:

 (moles of P processed per batch)
FP  (2-10)
(reaction time  shut down time per batch)
C AoV x A C AoV x A
FP   (2-11)
t  ts 1
n1 
(1 x A )1n   t s
k(n  1)C Ao
 Equation (2-11) is valid only for systems of constant density.
Thus, it is valid for all systems, gas or liquid, conducted in an autoclave at V = const (see
Figure 2-1a). It is also valid for gaseous systems with no change in the number of moles
conducted in P = const. system at T = const (Figure 2-1b).
The first equality in equation (2-11) gives the general result, the second equality presents
the result for an n-th order irreversible reaction with respect to reactant A. To use this
equation the shut down time, i.e. the time needed between batches, ts, must be known.

Consider now the following second order reaction with stoichiometry A = P.

 mol 
RA  0.1CA2 
Lmin 

a) Find the batch reactor volume needed to produce FP = 38 (mol/min) if reactor shut down time is
60 minutes and the desired conversion is 0.95. Initial reactant concentration is CAo = 1 (mol L).

What is the maximum production rate, FP, achievable in the above batch reactor of volume
V=10m3 if ts, T, CAo all are fixed at previous values.
Ex: 2A + 3B = P + S – stoichiometry
 mol 
r  0.1C A C B   - rate of reaction
2

L min 
mol 
C Ao  2 and x A  0.95 - are the feed reactant concentration and desired conversion,
 L 
respectively.
FP = 10 mol/min is the desired production rate

Assume first that we will operate at stoichiometric ratio so that CBo = 3 (mol/L). The reaction occurs in
the liquid phase so that  A  0 . Find the needed reactor volume.

Batch (ts = 60 min)

 Semi-Batch (Semi-Flow) Reactor
• A batch reactor where some reactant flows in or some product flows out
while the batch is processing
– Neutralization of an acid with a base
• Add base slowly to batch of acid in order to control the rate at which heat is released
– Reversible esterification
• Allow one product to boil off allowing the reaction to reach higher conversion than in a
closed batch process
• If species are boiling off, the composition of the leaving vapor is related to
the composition of the liquid, e. g. by Raoult’s law or Henry’s law
• Unlike common batch reactors, often the fluid volume is not constant
– Use the appropriate equation of state to re-write the derivatives of fluid volume and pressure in
terms of the moles in the reactor and the temperature
The reaction between A and B produces the desired product, D according to reaction (1), but B also
decomposes according to reaction (2), generating the undesired product U. The reactions take place in
solution, and the heat of reaction is so small that the reactions are effectively isothermal.
Reaction (1) is first order in each of the two reactants, second order overall. Reaction (2) is second order in
B. At the process temperature the rate coefficient for reaction (1) is 8 x 10-3 L mol-1 min-1 and that for
reaction (2) is 4 x 10-3 L mol-1 min-1. A 2000 L stirred tank reactor will be used, taking its feed from one
solution containing A at a concentration of 3 mol L-1 and from a second containing B at a concentration of 1
mol L-1.
Compare the selectivity (mol D per mol U) that will result from a batch process charged with 500 L of the A
solution and 1500 L of the B solution to a semi-batch process where the reactor is charged with 500 L of
the A solution at which time the B solution flows into the reactor at a rate of 150 L h-1. In both cases, allow
the reaction to proceed to a 95% conversion of B; in the semi-batch system, this may require stopping the
flow when the reactor contains 2000 L of solution and allowing it to continue to react as a batch reactor

until the desired conversion is reached .

A+B→D (1)

2B→U (2)