Reaction Engineering

Instructor: Dr. Che-Chi Shu

(Acknowledgement is made to Prof. Lin,
Lu-Yin for the preparation of slides)

Chapter 1 Mole Balances

1.1 The rate of the reaction

1. Chemical Identity
A chemical species is said to have reacted when it has lost its
chemical identity. The identity of a chemical species is determined
by the kind,number, and configuration of that species' atoms.

Three ways a chemical species can lose its chemical identity:

1. decomposition, ex. CH3CH3 H2 + H2C=CH2

2. combination, ex. N2 + O2 2NO

3. isomerization, ex. C2H5CH=CH2 CH2=C(CH3)2
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2. Reaction Rate
The reaction rate is the rate at which a species looses its
chemical identity per unit volume. The rate of a reaction can
be expressed as the rate of disappearance of a reactant or as
the rate of appearance of a product.

Consider the reaction of A B

rA = the rate of formation of species A per unit volume

-rA = the rate of a disappearance of species A per unit volume

rB = the rate of formation of species B per unit volume
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Example: Consider the reaction, A B

If B is being created 0.2 moles per decimeter cubed per second,

the rate of formation of B is, rB = 0.2 mole/dm3/s

Then A is disappearing at the same rate, -rA = 0.2 mole/dm3/s
and the rate of formation of A is, rA = -0.2 mole/dm3/s
For a catalytic reaction, we refer to -rA', which is the rate of
disappearance of species A on a per mass of catalyst basis.
What is rA ?

The number of moles of A reacting per unit time per unit mass of
catalyst (mol/sg catalyst)
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1.2 The General Mole Balance Equation

To perform a mole balance on any system, the system boundaries must
first be specified.

Consider this system,

Fig. 1-4 Dividing up the system volume, V

The rate generation, Gj = Gj1+Gj2 = rj1V1+ rj2V2

Take the appropriate limits (i.e., let M ; 0)

=
Subsititute into Fj0 Fj +

Gj =

The general mole balance equation: Fj0 Fj +

1.3 Batch Reactors

A batch reactor is used for small-scale operation, for testing new
processes that have not been fully developed, for the manufacture
of expensive products, and for processes that are difficult to
convert to continuous.

Advantages: high conversions can be obtained by leaving the

reactant in the reactor for long periods of time.
Disadvantages: high labor costs per batch, the variability of
products from batch to batch, the difficulty of large-scale
production.

The general mole balance equation: FA0 FA +

A batch reactor has no inflow or outflow:

FA0 = FA = 0

If the reaction mixture is well mixed, no variation in (rate of

reaction) throughout the reactor volume, take out of integration.

= V

Rearranging the equation =

V
Integrating with limits, t = 0, NA = NA0 and t = t1 , NA = NA1
(t1 0) =

0 V

t1 =

t1 =

0 V

1 V

1 V

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1.4 Continuous-Flow Reactors

Continuous flow reactors are almost always operated
at steady state. We will consider three types:

1. Continuous stirred tank reactor (CSTR)

2. Plug flow reactor (PFR)

3. Packed bed reactor (PBR)

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1.4.1 Continuous Stirred Tank Reactor (CSTR)

A type of reactor used commonly in industrial processing is the
tank operated continuously, primarily for liquid phase reactions. It
is normally operated at steady state and assumed to be perfectly
mixed.

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The general mole balance equation: FA0 FA +

Assumptions: Steady State
The mixture is well mixed

=0

= V

Then the general mole balance equation becomes

0 + = 0

0
=

(1-7)

The molar flow rate is the product of the

concentration of species j and the volumetric flow rate .

= (1-8)
Finally, the balance on species A

0 0
=

(1-9)
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1.4.2 Tubular Reactor (plug-flow reactor (PFR))

It consists of a cylindrical pipe and is normally operated at
steady state, often used for gas-phase reactions.
The reactants are continually consumed as they flow down the
length of the reactor. There is no radial variation in reaction rate
and the reactor is referred to as a plug-flow reactor (PFR).

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The general mole balance equation: FA0 FA +

Assumptions: Steady State

0 +

=0

= 0

Differentiate with respect to V 0

= 0, =0
Rearranging and integrating between
=1, =1
1
0

1
0

We obtain

1 =

1 =

1
0

0
1

0
1
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1. Species A is consumed as we move down the reactor, so both of the

molar flow rate () and concentration of A () decrease as we move.
Since the volumetric flow rate is constant, = , we can obtain
= /0 refer to textbook Eq. 1-8.

Figure E1-1.1 Concentration profile.

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1.5 Industrial Reactors

[1] Liquid-Phase Reactions
Semi-batch reactor
Also used for two-phase reactions with gas
bubbled through liquid.
Advantages:

1. Temperature control by regulation of the feed rate.

2. The capability of minimizing unwanted side reactions through
the maintenance of a low concentration of one of the reactants.
Disadvantages:
1. High labor costs per batch.

2. The variability of products from batch to batch.

3. The difficulty of large-scale production.

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 Continuous Stirred Tank Reactor (CSTR)

It is used when intense agitation is required.
Can be itself or as part of a series of CSTRs.

Advantages:
1. Easy to maintain good temperature control since it is wellmixed.
Disadvantages:
1. The conversion of reactant per volume of reactor is the smallest
among all the flow reactors Very large reactors are necessary
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[2] Gas-Phase Reactions

Tubular reactor (plug-flow reactor (PFR))
One long tube or as one of a number of shorter reactors arranged
in a tube band.

Advantages:
1.Easy to maintain.
2.It usually produce the highest conversion per reactor volume of
any of the flow reactors.
Disadvantages:
1.It is difficult to control temperature within the reactor.
2.Hot spots can occur when the reaction is exothermic.
*Most homogeneous liquid-phase flow reactors are CSTRs, whereas
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most homogeneous gas-phase flow reactors are tubular.

 Packed-bed (also called fix-bed) reactor (PBR)

Its a tubular reactor packed with solid catalyst particles. This
heterogeneous reaction system is most often used to catalyze
gas reactions.
Advantages:
1. Most reactions gives the highest conversion per weight of

catalyst of any catalytic reactor.

Disadvantages:
1. It is difficult to control temperature within the reactor.
2. The catalyst is usually troublesome to replace.
3. Channeling of the gas flow occurs, resulting in ineffective use

of parts of the reactor bed.

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Summary

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Home Work or Class Work