Module 1 - Introduction
Module 1 - Introduction
Kinetics
Introduction
Definitions
General Mole Balance Equation
• Batch (BR)
• Continuously Stirred Tank
Reactor (CSTR)
• Plug Flow Reactor (PFR)
• Packed Bed Reactor (PBR)
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Chemical Reaction Engineering
• 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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Materials on the Web
http://www.umich.edu/~elements/5e/
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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.
• A chemical species is said to have reacted when it has lost its chemical
identity.
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Reaction Rate
• The reaction rate is the rate at which a species looses its chemical
identity per unit volume.
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
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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
If spatially uniform:
G j r jV
If NOT spatially uniform:
V1
V2
rj1
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
FA0 GA FA
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Batch Reactor - Mole Balances
Batch
dN A
FA0 FA rA dV
dt
FA0 FA 0
Well-Mixed r A dV r AV
dN A
rAV
dt
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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
dN A
t
N A0
rAV
NA
t 16
CSTR - Mole Balances
CSTR
dN A
FA 0 FA rA dV
dt
Steady State dN A
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 at V V in V 0
FA V FA V V rA V 0
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Plug Flow Reactor - Mole Balances
FA V V FA V
lim rA
V 0 V
dFA
rA
dV
PFR
dN A
FA0 FA rA dV
dt
dN A
Steady State 0
dt
FA0 FA rA dV 0
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Plug Flow Reactor - Mole Balances: Alternative Derivation
0
dFA
rA
dFA
dV
rA
dV
FA
dF A
The integral form is: V rA
FA 0
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Packed Bed Reactor - Mole Balances
W
PBR
FA FA
W W W
dN A
FA W FA W W rA W
dt
Steady State dN A
0
dt
F A W W F A W
lim rA
W 0 W 24
Packed Bed Reactor - Mole Balances
Rearrange:
dFA
rA
dW
The integral form to find the catalyst weight is:
FA
dFA
W
FA 0
rA
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Reactor Mole Balances Summary
H SO
CH 2 CH CH 3 H 2O
2
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CH 2 CH CH 3
O OH OH
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v0
Propylene
Glycol
2. Rate Law:
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3. Stoichiometry (liquid phase, ν = ν0):
4. Combining yields
This equation relates temperature and conversion through the mole balance.
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b. Stoichiometry (CA0, Θi, τ): The total liquid volumetric flow rate entering the
reactor is
c. Evaluate mole balance terms: The conversion calculated from the mole
balance, XMB:
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5. The energy balance for this adiabatic reaction in which there is negligible
energy input provided by the stirrer is
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d. Evaluate energy balance terms:
Substituting all the known quantities into the energy balance gives us
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7. Solving
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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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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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