Chemical Reaction Engineering

SUMMARY OF COURSE OUTLINE:

- Classification and types of reactors.
- Methods of operation and design equations.
- Temperature stability of the reactors.
- Optimization of yield.
- Departures from plug, mixing and RTD.
- Fluid-solid reaction
- mass transfer in chemical reactions and reaction \-
in porous solids.
- Fixed and fluidized reactor design.
- Catalyst deactivation.
Pre-requisite - CHE326
 Introduction
• Types of reactors
- Batch (ideal batch and semi batch)
- Tubular
- Plug flow
- CSTR
- Catalytic
- Biological reactors
- Fluidized or fixed catalytic bed reactors
 Types of reactions
• Combination- formation of ammonia,
substitution – formation of trichloromethane,
decomposition- fractional distillation of
petroleum and coke, isomerization-
thalidomide, esterification, hydrolysis,
hydrogenation etc.
• Chemical reactors are vessels designed for chemical
reactions. They are sites for conversion of raw materials
into products. A reactor is the heart of a chemical
process. To design a chemical reactor where bulk
products would be synthesized for commercial
purposes, multiple aspects of chemical engineering
would have to be interrelated. Since it is a very vital
step in the overall design of a process, designers thus,
ensure that the reaction proceeds with the highest
efficiency towards the desired output, producing the
highest yield of product in the most cost effective way.
• Reactors are designed based on features like mode of
operation or types of phases present
• Classification of chemical reactions
Chemical rxns can be classified based on the
Following:
i. Mechanism of reaction
ii. Order and molecularity
iii. No. of phases present or phase grouping
iv. Operating conditions
v. Inclusion of foreign substances
vi. Thermal influence on the reaction
vii. Energy regime
A simple reversible reaction is one in which the
products recombine to form the starting material and
vice - versa depending on the position of equilibrium.
In the reaction below, we could promote the forward
rxn or backward rxn by enhancing further dissociation
of iodide at increased temperatures or reduced
temperatures respectively.
H2 (g) + I2 (g) 2HI
(iii) Complex rxns
This consists of elementary rxns: series & parallel
Series rxns:
A B C
Parallel rxns:

B + C
A
D + E
NOTE:
In both cases, all species can be isolated for
identification.
Characteristics of complex rxns
- The overall reaction is the sum of the individual reaction stages
/ elementary rxns
- Intermediate processes occur which are characterized by free
radicals
• Sub classes of complex rxns
(i) open sequence: thermal decomposition of N2O5
N2O5 NO2 + NO3
NO3 + NO2 NO + O2 + NO2
NO + N2O5 2NO2
(ii) Closed sequence: thermal decomposition of acetaldehyde
a. CH3CHO CH3 + CHO
b. HCO CO + H
c. H + CH3CHO H2 + CH3CO
d. CH3CO CO + CH3
e. CH3 + CH3CHO CH4 + CH3CO
f. CH3 + CH3 C2H6
• Reaction mechanism
This refers to the series of steps or the means by
which the reaction occurred. i.e. the ‘’how’’ of
the process through which the reactants
combine to form the products.
(i) Simple irreversible reaction
Considering the simple reaction below
A B
(ii) Simple irreversible rxns (no side rxns)
A +B C+D
However, one can distinguish the processes
found in the chain rxns:
Initiation (a) – monomolecular decomposition of
CH3CHO
Transformation (b & c) – where the free radical (
HCO) changes identity and becomes CH3CO
Propagation (d & e) – which can repeat
Indefinitely
Termination (f) – here, two methyl radicals
combine to yield ethane
• Order and molecularity:
The power to which a concentration term is
raised in a given rate expression gives the
order of the reaction while molecularity refers
to the number of distinct chemical species,
molecules or ions participating in the rate
controlling stage, or form new bonds/ suffer
cleavage of old bonds during the rate step
e.g. A + B C implies, order = 2
and molecularity = 2 but in the rxn below
A B + C order = 1, molecularity
=2
• Note:
While the order or a rxn is empirical, the molecularity
of a rxn is based on the rxn mechanism and thus,
dependent on the stoichiometry of the rate
determining step
Phase grouping: Homogenous, Heterogenous; single
& multiphase, solid, liquid gas etc