Learning Objectives

Learning Objectives
Upon completion of this unit, you should be able to define, in words, the following terms:
• semi-batch operation
Upon completion of this unit, you should be able to perform the following specific tasks
and be able to recognize when they are needed and apply them correctly in the course of a
more complex analysis:
• identify circumstances where semi-batch reactor operation might be advantageous
• formulate mole balance design equations for a semi-batch reactor
• solve the semi-batch reactor design equations and use the results to perform a requested
engineering task
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
As one might expect, the design equations for a semibatch reactor can be generated by
modification of the batch reactor design equations.
Semi-Batch Design Equations
• Mole balance
ṅi is the net molar rate of flow of
species i into the reactor
may be a function of time
• Energy balance
The semi-batch reactor design equations are ordinary differential equations, and they
are solved in the same manner as the batch reactor design equations. A mole balance is
written for every reactant and product along with an energy balance, and the resulting
set of ordinary differential equations is solved numerically. To do so, the initial values
of the independent and dependent variables must be specified along with the final value
of either the independent variable or one of the dependent variables. In addition, code
must be provided that is given values for the independent and dependent variables and
that uses them to evaluate the differential equations being solved
Selectivity and Yield
Instantaneous Overall
Selectivity:
Yield:
desired product , r D = k1C A C B

2
Example:
undesired product , r U = k 2 C A C 2B
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 few slowly to A.
Semibatch Reactors
Semibatch reactors can be very effective in maximizing selectivity in liquid phase reactions.
The reactant that starts in the reactor is always the limiting reactant.
Three Forms of the Mole Balance Applied to Semibatch Reactors:

1. Molar Basis:
2. Concentration Basis: =
(
dN A d C A V) dC
= V A + CA
dV dC
= V A +  0CA = rA V
dt dt dt dt dt
3. Conversion:
For constant molar feed:

For constant density:
Semibatch Reactors
The combined mole balance, rate law, and stoichiometry may be written in terms of number of moles,
conversion, and/or concentration:
Conversion Concentration Number of Moles
dX − rA
= V
dV N A 0
N A NB
k V
= V V
NA 0
kN A 0 (1− X )(N B )
=
VN A 0
Semibatch Reactors
Polymath Equations:
Conversion Concentration Moles
d(X)/d(t) = -ra*V/Nao d(Ca)/d(t) = ra - (Ca*vo)/V d(Na)/d(t) = ra*V
ra = -k*Ca*Cb d(Cb)/d(t) = rb + ((Cbo-Cb)*vo)/V d(Nb)/d(t) = rb*V + Fbo
Ca = Nao*(1 - X)/V ra = -k*Ca*Cb ra = -k*Ca*Cb
Cb = (Nbi + Fbo*t - Nao*X)/V rb = ra rb = ra
V = Vo + vo*t V = Vo + vo*t V = Vo + vo*t
Vo = 100 Vo = 100 Vo = 100
vo = 2 vo = 2 vo = 2
Nao = 100 Fbo = 5 Fbo = 5
Fbo = 5 Nao = 100 Ca = Na/V
Nbi = 0 Cbo = Fbo/vo Cb = Nb/V
k = 0.1 k = 0.01 k = 0.01
Na = Ca*V
X = (Nao-Na)/Nao
Semibatch Reactors
 C C 
− rA = k C A C B − C D 
 KC 
At equilibrium, -rA=0, then

Xe
X
X
t
Operación Semibatch – Control de temperatura
Reacción muy
exotérmica
Balance de A:
Integrando se tiene:
Asumiendo
que T = To

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Learning Objectives

desired product , r D = k1C A C B

Three Forms of the Mole Balance Applied to Semibatch Reactors:

For constant molar feed:

At equilibrium, -rA=0, then

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