Chemical Reaction

Engineering
Lecture (1) Revision
Chemical Reaction Engineering (CRE) is the field that
studies the rates and mechanisms of chemical reactions
and the design of the reactors in which they take place.

TODAY’S LECTURE
Introduction
Definitions
 Introduction
•Chemical reaction engineering is at the heart of
virtually every chemical process. It separates the
chemical engineer from other engineers.

•Industries that Draw Heavily on Chemical

Reaction Engineering (CRE) are:

• CPI (Chemical Process Industries)

• Dow, DuPont, Amoco, Chevron

•
Introduction
Materials on the Web and CDROM
http://www.engin.umich.edu/~cre/
 Let’s Begin CRE
Chemical Reaction Engineering (CRE) is
the field that studies the rates and
mechanisms of chemical reactions and the
design of the reactors in which they take
place.
 Chemical Identity
• A chemical species is said to have
reacted when it has lost its chemical
identity.
 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.
 Chemical Identity
• A chemical species is said to have
reacted when it has lost its chemical
identity.

1. Decomposition
 Chemical Identity
• A chemical species is said to have
reacted when it has lost its chemical
identity.

1. Decomposition

2. Combination
 Chemical Identity
• A chemical species is said to have
reacted when it has lost its chemical
identity.

1. Decomposition

2. Combination

3. Isomerization
 Reaction Rate
• The reaction rate is the rate at which a
species looses its chemical identity per
unit volume.
 Reaction Rate
• The reaction rate is the rate at which a
species looses its chemical identity per
unit volume.
• The rate of a reaction (mol/dm3/s) can
be expressed as either

the rate of Disappearance: -rA

or as
the rate of Formation (Generation): rA
 Reaction Rate

Consider the isomerization 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

 Reaction Rate
• EXAMPLE: AB
If Species B is being formed at a rate of
0.2 moles per decimeter cubed per second, ie,

rB = 0.2 mole/dm3/s
 Reaction Rate
• EXAMPLE: AB
rB = 0.2 mole/dm3/s

Then A is disappearing at the same rate:

-rA= 0.2 mole/dm3/s

 Reaction Rate

• EXAMPLE: AB
rB = 0.2 mole/dm3/s

Then A is disappearing at the same rate:

-rA= 0.2 mole/dm3/s

The rate of formation (generation of A) is

rA= -0.2 mole/dm3/s
 Reaction Rate
• For a catalytic reaction, we refer to -rA',
which is the rate of disappearance of
species A on a per mass of catalyst basis.
(mol/gcat/s)

NOTE: dCA/dt is not the rate of reaction

 Reaction Rate
Consider species j:
• rj is the rate of formation of species j
per unit volume [e.g. mol/dm3/s]
 Reaction Rate
• rj is the rate of formation of species j per
unit volume [e.g. mol/dm3*s]

• rj is a function of concentration,
temperature, pressure, and the type of
catalyst (if any)
 Reaction Rate
• rj is the rate of formation of species j per unit
volume [e.g. mol/dm3/s]
• rj is a function of concentration, temperature,
pressure, and the type of catalyst (if any)

• rj is independent of the type of reaction

system (batch reactor, plug flow reactor,
etc.)
 Reaction Rate
• rj is the rate of formation of species j per unit
volume [e.g. mol/dm3/s]
• rj is a function of concentration, temperature,
pressure, and the type of catalyst (if any)
• rj is independent of the type of reaction
system (batch, plug flow, etc.)

• rj is an algebraic equation, not a

differential equation
Arrhenius Equation
Why is there an Activation
Energy?
• )1( the molecules need energy to
distort or stretch their bonds in order to
break them and to thus form new bonds
• )2( as the reacting molecules come
close together they must overcome both
steric and electron repulsion forces in order
to react
• In our development of collision theory we
assumed all molecules had the same
average energy. However, all the molecules
don’t have the same energy, rather there is
distribution of energies where some
molecules have more energy than others.
The distraction function f(E,T) describes this
distribution of the energies of the molecules.
The distribution function is read in
conjunction with dE
• f(E, T) dE = fraction of molecules with
energies between E and E + dE
• One such distribution of energies is in the
following figure .
• By increasing the temperature
we increase the kinetic energy
of the reactant molecules
which can in turn be
transferred to internal energy
to increase the stretching and
bending of the bonds causing
them to be in an activated
state, vulnerable to bond
breaking and reaction .
• We see that as the
temperature is increased we
have greater number of
molecules have energies E A
or greater and hence the
reaction rate will be greater.
• on activation Energy
 You can tell the overall reaction order by •
the units of k
rAReaction OrderRate -CA •
= rA-zero)s*3mol/dm()3mol/dm(Lawk
rA-st1)s*3mol/dm()3mol/dm()s*3mol/dm(k
= rA-nd2)s*3mol/dm()3mol/dm(1-kCAs =
)mol*s/3dm(2kCA
• activation energy is a measure of the
minimum energy a that the reacting
molecules must have in order for the
reaction to occur.
• The reaction of AB + C to form
A + BC is shown above along the
reaction coordinate. One way to
think of the reaction coordinate is
the linear distance between the
AB molecule for a fixed linear
distance between the AC
molecule. At the start of the
reaction the AB distance is small
and the BC distance is large. As
the reaction proceeds, the A–C
distance remains fixed but B
moves away for A and closer to C
and the energy of system
increases. At the top of the barrier
molecule B is equal distance from
A and C. But as it crosses the
barrier it moved close to C to form
the BC molecule and the A
molecule alone.
Reaction Coordinate
 And the reverse rate :The forward rate is •
The net rate for species A is the :law is
:sum of the forward and reverse rate laws
:and rrev Substituting for rfor
 about:blank •

about:blank
 Classification of Reactors
Based on number of phases:-
• Homogeneous:- Only one phase, usually a gas
oe a liquid. (productivity depends on rate of
reaction).
• Heterogeneous: two or possibly three phases
are present.( productivity depends on rate of
reaction and rate of mass transfer).
G-L
G-S
L-S
L-L
 Classification of Reactors
Based on mode of operation:-
• Batch reactors.
• Continuous reactors.
• Continuously Stirred Tank reactors (CSTR) or back
mix reactors.
• Tubular or Plug Flow Reactors (PFR).
 Classification of Reactors
Based on thermal characteristics of the
reactor:
• isothermal:- temperature of mixture remains
constant.
• Non Isothermal:temperature of mixture is not
constant.
adiabatic or non adiabatic