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KC32203 Chemical
Reaction Engineering
CHAPTER 1:
Mole Balances
KC32203 Chemical
Reaction Engineering
Introduction & Definition
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.
Examples of application:
Waste treatment
Microelectronics
Nanoparticles
Manufacture of chemicals & pharmaceuticals
KC32203 Chemical
Reaction Engineering
KC32203 Chemical
Reaction Engineering
1.1 Rate of Reaction, -rA
1. Decomposition
2. Combination
3. Isomerization
KC32203 Chemical
Reaction Engineering
Examples of Reaction Rate
For a reaction:
AB
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
KC32203 Chemical
Reaction Engineering
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.
KC32203 Chemical
Reaction Engineering
1. 2 The General Mole Balance Equation
Balance on a system volume
Nj = no. of
moles of
species j
in syst, at
time t
KC32203 Chemical
Reaction Engineering
Rate of Rate of
generation formation Reaction
of species j, of species j vol.
KC32203 Chemical
Reaction Engineering
Taking limits s & integral,
KC32203 Chemical
Reaction Engineering
1. 3 Batch Reactors
KC32203 Chemical
Reaction Engineering
Mole balance:
0 0
Consider isomerization of A;
KC32203 Chemical
Reaction Engineering
Moles of A
Moles of B
What is the time, t required to reduce initial no of moles, NA0 to final moles, NA1??
Apply eqn. (1-5):
To obtain:
KC32203 Chemical
Reaction Engineering
1. 4 Continuous-Flow Reactors
1.4.1 Continuous-Stirred Tank Reactor (CSTR)
Vat/backmix reactor
0 Steady state
(condition do
not change
with time)
Perfect mixing (no spatial variation in rate of rxn):
(1-7)
KC32203 Chemical
Reaction Engineering
Concentration of
species
Molar flow Volumetric
rate flow rate
KC32203 Chemical
Reaction Engineering
1.4.2 Tubular Reactor
Steady state
Consists of cylindrical
pipe
Gas phase rxns
Flow field modeled by
plug flow profile
No radial variation in
rxn rate
Referred as plug-flow
reactor
KC32203 Chemical
Reaction Engineering
The general mole balance eqn:
KC32203 Chemical
Reaction Engineering
Divide by V and rearrange:
The bracket
term
resembles
definition of
derivative
KC32203 Chemical
Reaction Engineering
Imagine we have irregular shape?
KC32203 Chemical
Reaction Engineering
Again, consider isomerization of A;
KC32203 Chemical
Reaction Engineering
1.4.3 Packed-Bed Reactor
Diff btw calc for homogeneous and fluid solid heterogeneous is we need to
consider rxn on surface of catalyst, W rather on on vol, V of reactor.
Rate of rxn:
KC32203 Chemical
Reaction Engineering
Derivation of design eqn.
analogous to the tubular design
eqn.
Replace vol. coordinate in Eqn.1-10
with catalyst weight, W
No radial gradients in conc, T, & rxn rate, hence the mole balance:
KC32203 Chemical
Reaction Engineering
Divide by W, and take limit as W 0, yield the differential form
of packed-bed reactor.
KC32203 Chemical
Reaction Engineering
Summary of Reactor Mole Balances