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Chemical Reaction Engineering (CRE) Is The
Chemical Reaction Engineering (CRE) Is The
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Lecture 1 – Thursday 1/10/2013
Introduction
Definitions
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Chemical Reaction Engineering
Chemical reaction engineering is at the heart of
virtually every chemical process. It separates the
chemical engineer from other engineers.
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Smog (Ch. 1)
Wetlands (Ch. 7 DVD-ROM)
http://www.umich.edu/~essen/
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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.
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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.
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Chemical Identity
A chemical species is said to have reacted when
it has lost its chemical identity.
There are three ways for a species to loose its
identity:
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Reaction Rate
The reaction rate is the rate at which a species
looses its chemical identity per unit volume.
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Reaction Rate
Consider the isomerization
AB
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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Reaction Rate
EXAMPLE: AB
If Species B is being formed at a rate of
0.2 moles per decimeter cubed per second, i.e.,
rB = 0.2 mole/dm3/s
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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)
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Reaction Rate
Consider species j:
1. rj is the rate of formation of species j per unit volume
[e.g. mol/dm3s]
2. rj is a function of concentration, temperature,
pressure, and the type of catalyst (if any)
3. rj is independent of the type of reaction system
(batch, plug flow, etc.)
4. rj is an algebraic equation, not a differential equation
(e.g. -rA = kCA or -rA = kCA2)
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Building Block 1:
General Mole Balances
System
Volume, V
Fj0 Gj Fj
V1
V2
r j1
rj 2
G j1 rj1V1
G j 2 rj 2 V2
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Building Block 1:
General Mole Balances
n
G j rji Vi
i 1
Take limit
n
Gj rji Vi r dV
j
i1 lim V 0 n
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Building Block 1:
General Mole Balances
System
Volume, V
FA0 GA FA
Batch
dN A
FA0 FA rA dV
dt
FA0 FA 0
Well-Mixed r dV r V
A A
dN A
rAV
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Batch Reactor - Mole Balances
dN A
Integrating dt
rAV
t 0 N A N A0
when
t t NA NA
NA
dN A
t
N A0
rAV
NA
21 t
CSTR - Mole Balances
CSTR
dN A
FA 0 FA rA dV
dt
dN A
Steady State 0
dt
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CSTR - Mole Balances
Well Mixed r dV r V
A A
FA 0 FA rAV 0
FA 0 FA
V
rA
CSTR volume necessary to reduce the molar flow
rate from FA0 to FA.
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Plug Flow Reactor - Mole Balances
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Plug Flow Reactor - Mole Balances
V
FA FA
V V V
In Out Generation
at V 0
at V V in V
FA V FA V V rA V 0
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Plug Flow Reactor - Mole Balances
Rearrange and take limit as ΔV0
FA V V FA V
lim rA
V 0 V
dFA
rA
dV
dN A
FA0 FA rA dV
dt
dN A
Steady State 0
dt
FA0 FA rAdV 0
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Alternative Derivation
Plug Flow Reactor - Mole Balances
Differientiate with respect to V
0
dFA
rA
dFA
rA
dV dV
FA
dFA
The integral form is: V rA
FA 0
W W W
FA W FA W W rAW
dN A
dt
Steady State dN A
0
dt
FA W W FA W
lim rA
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W 0 W
Packed Bed Reactor - Mole Balances
Rearrange:
dFA
rA
dW
The integral form to find the catalyst weight is:
FA
dFA
W
FA 0
rA
H 2 SO4
CH2 CH CH3 H2O CH2 CH CH3
O OH OH
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v0
Propylene Glycol
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Analysis
We have applied our CRE algorithm to calculate the
Conversion (X=0.84) and Temperature (T=614 °R)
in a 300 gallon CSTR operated adiabatically.
T=535 °R
X=0.84
A+BC
T=614 °R
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Keeping Up
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Separations
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Reaction Engineering
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Heat Effects
Isothermal Design
Stoichiometry
Rate Laws
Mole Balance
CRE Algorithm
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Mole Balance Rate Laws
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Heat Effects
Isothermal Design
Stoichiometry
Rate Laws
Mole Balance
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Supplemental Slides
Additional Applications of CRE
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Supplemental Slides
Additional Applications of CRE
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Supplemental Slides
Additional Applications of CRE
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Supplemental Slides
Additional Applications of CRE
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Supplemental Slides
Additional Applications of CRE
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Supplemental Slides
Additional Applications of CRE
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Supplemental Slides
Additional Applications of CRE
Smog (Ch. 1)
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Supplemental Slides
Additional Applications of CRE
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Supplemental Slides
Additional Applications of CRE
Cobra Bites
(Ch. 8 DVD-ROM)
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Supplemental Slides
Additional Applications of CRE
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Supplemental Slides
Additional Applications of CRE
Plant Safety
(Ch. 11,12,13)
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