Chemical Reaction

Engineering

Prepared by :
Ma. Junallie F. Pomperada ChE, MEngr.,PhDT.M.
 Raw Physical Chemical Physical
treatment treatment treatment Products
materials steps steps steps

Recycle

Fig 1.1 Typical chemical process

 The raw materials undergo a number of physical treatment

steps to put them in the form which they can be reacted
chemically. The treated raw materials then goes to the
reactor where they are reacted to form the desired
product(s). The products of reaction undergo further
physical steps like separation and purification in order to
obtain the final desired product.
 Typical Chemical Process

S S
E E
P P
PRODUCT
A A
RAW R REACTOR R
MATERIAL A A
T T
O O
R R
What’s involved in reactor design ?

Mass
Transfer Fluid
Heat Mechanics
Transfer

REACTANT(S) PRODUCT(S)
REACTOR

Reaction
Thermodynamics
Economics Kinetics
So, how do we describe what Chemical
Reaction Engineering (CRE) is ?

 CRE deals with chemically reactive systems of

engineering significance.

 Chemical reaction engineering is the discipline that

quantifies the interactions of transport phenomena
and reaction kinetics in relating reactor performance
to operating conditions and feed variables.
Chemical Reaction Engineering is that
engineering activity concerned with the
exploitation of chemical reactions on a
commercial scale with the goal of
successfully designing and operating
chemical reactors.
 Why Chemical Reaction Engineering
(CRE)??

 CRE is needed in the development of new and improvement of

existing technologies.

 search for alternative processes to replace

old ones
 find routes to make a product from different feedstock
 reduce/eliminate unwanted by-products

 CRE perhaps sets Chemical Engineering apart as a distinct

branch of the engineering profession..
What do you expect to learn in
CRE?
In CRE, we will develop a general methodology
useful in approaching a variety of systems

 chemical (e.g. chemical production, pollution

abatement)
 biochemical and biological (e.g. enzyme growth,
stem cell growth)
 electrochemical (e.g. fuel cells)

where engineering of reactions are needed

Chemical Kinetics & Chemical
Reactor Design
will be at the core of this course
 Specifically, Chemical Reaction
Engineering has these principal
functions:
 Establishing the chemical mechanism of
reaction
 Collecting Experimental Data
 Correlating rate data by mathematical
equation or otherwise
 Designing suitable reactors
 Specifying operating conditions, methods
of control, and auxiliary equipment
Chemical Kinetics

 deals with how fast a reaction proceeds

(reaction rates)
 deals with mechanism of reaction,
 deals with the effects of P,T, composition
and catalysts on reaction rates
Reactor Design

 deals with size of reactor

 deals with type/configuration of reactor
 involves consideration of heat and mass
transfer.
 Performance Equation
relates input to output

Input Reactor Output

Contacting pattern or how materials Kinetics or how fast things

flow through and contact each other happen. If very fast, then
in the reactor, how early or late they equilibrium tells what will leave
mix, their clumpiness or state of the reactor. If not so fast, then
aggregation. By their very nature the rate of chemical reaction, and
some materials are very clumpy—for maybe heat and mass transfer
instance, solids and noncoalescing too, will determine what will
liquid droplets. happen.
Figure 1.2 Information needed to predict what a reactor can do.

Output = ƒ [input, kinetics, contacting pattern]

Table 1.1 Classification of Chemical Reactions Useful in Reactor Design
Noncatalytic Catalytic

Homogeneous Most gas-phase reactions Most liquid-phase reactions

Fast reactions such as Reactions in colloidal systems

burning of a flame Enzyme and microbial reactions

Burning of coal Ammonia synthesis

Roasting of ores Oxidation of ammonia to
Attack of solids by acids produce nitric acid
Heterogeneous Gas-liquid absorption with Cracking of crude oil
reaction Oxidation of SO2 to SO3
Reduction of iron ore to
iron and steel
 Various Classifications of
Reactions
 Based on Mechanism
 Irreversible
 Reversible
 Simultaneous (parallel/competing)
 Consecutive (series)

 Based on Molecularity
 Unimolecular
 Bimolecular
 Termolecular
 Various Classifications of
Reactions
 Based on Operating Conditions
 Isothermal at constant pressure
 Isothermal at constant volume
 Adiabatic
 Non-adiabatic and non-isothermal

 Based on Equipment Type/Orientation

 Stirred tank or tank battery
 Single- or multiple-tubular reactor
 Reactor filled w/ solid particles, inert or catalytic
 Fixed bed
 Moving bed
 Fluidized bed
 Various Classifications of
Reactions

 Based on Type of Reactor

 Batch
 Flow
 Semibatch
 Variables Affecting Rate of
Reaction

Homogeneous – temperature, pressure,

composition

Heterogeneous – heat and mass transfer

become rate controlling for very fast
reactions
 Reaction Rate
 Based on unit volume of reacting fluid

1 dNi moles i formed

ri = =
V dt (volume of fluid) (time)

 Based on unit mass of solid in fluid-solid systems

1 dNi moles i formed

ri’ = =
W dt (mass of solid) (time)

 Based on unit interfacial surface in two-fluid systems or based on

unit surface of solid in gas-solid systems
1 dNi moles i formed
ri’’ = =
S dt (surface) (time)
 Based on unit volume of solid in gas-solid systems

1 dNi moles i formed

ri’’’ = =
Vs dt (volume of solid) (time)

Based on volume of reactor if different from the rate based

on unit volume of fluid
1 dNi moles i formed
ri’’’’ = =
Vr dt (volume of reactor) (time)

volume ri = mass of ri’ = surface of r ’’ = volume of ri’’’ = volume of ri’’’’

i
of fluid solid solid solid reactor

or

Vri = Wri’ = Sri’’ = Vsri’’’ = Vrri’’’’

 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.
Example: A B

If B is being created at 0.2 moles per decimeter cubed

per second, i.e, 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

& the rate of formation of A is

rA = - 0.2 mole/dm3/s
 - Sample Problem -
 A rocket engine burns a stoichiometric
mixture of fuel (liquid hydrogen) in oxidant
(liquid oxygen). The combustion chamber
is cylindrical, 75 cm long and 60 cm in
diameter, and the combustion process
produces 108 kg/s of exhaust gases. If
combustion is complete, find the rate of
reactions of hydrogen and oxygen.
 - Sample Problem -
 A 75 kg human being consumes 6000 kJ of food per
day. Assume that the food is all glucose and that the
overall reaction is

C6H12O6 + 6 O2 → 6 CO2 + 6 H20 -∆Hr = 2816 kJ

Find the man’s metabolic rate (the rate of living, loving,

and laughing) in terms of moles of oxygen used per m3
of person per second.