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Lecture Four 2020
Lecture Four 2020
2
Review Lecture 2
Reactor Mole Balances Summary
in terms of conversion, X
Reactor Differential Algebraic Integral
X
X
dX
Batch N A0
dX
= −r AV t = N A0
dt 0
− rAV
t
FA 0 X
CSTR V=
−rA
X
dX V = FA0
dX
PFR FA 0 = −rA
dV 0
− rA
X
X
dX dX
PBR
FA 0 = −rA W = FA0
3 dW 0
− rA
W
Review Lecture 2
Levenspiel Plots
FA 0
−rA
X
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Review Lecture 2
PFR
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Review Lecture 2
Reactors in Series
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Review Lecture 2
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Review Lecture 3
Building Block 2: Rate Laws
Power Law Model:
α order in A
− rA = kC A CB
β order in B
Overall Rection Order = α + β
2 A + B → 3C
A reactor follows an elementary rate law if the reaction
orders just happens to agree with the stoichiometric
coefficients for the reaction as written.
e.g. If the above reaction follows an elementary rate law
− rA = k AC A2CB
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2nd order in A, 1st order in B, overall third order
Review Lecture 3
Arrhenius Equation
k = Ae − E RT
k
T → k → A
T →0 k →0
E = Activation energy (cal/mol)
R = Gas constant (cal/mol*K)
A 1013
T = Temperature (K) T
A = Frequency factor (same units as rate constant k)
order)
(units of A, and k, depend on overall reaction
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Review Lecture 3
Reaction Engineering
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Review Lecture 3
Algorithm
How to find − rA = f ( X )
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Building Block 3: Stoichiometry
We shall set up Stoichiometry Tables using species
A as our basis of calculation in the following
reaction. We will use the stoichiometric tables to
express the concentration as a function of
conversion. We will combine Ci = f(X) with the
appropriate rate law to obtain -rA = f(X).
b c d
A + B→ C + D
a a a
A is the limiting reactant.
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Stoichiometry
NA = NA 0 − NA 0 X
For every mole of A that reacts, b/a moles of B react. Therefore
moles of B remaining:
b NB 0 b
NB = NB 0 − N A 0 = NA 0 − X
a NA 0 a
Let ΘB = NB0/NA0
Then:
b
N B = N A0 B − X
a
c c
NC = NC 0 + N A 0 X = N A 0 C + X
14 a a
Batch System - Stoichiometry Table
Species Symbol Initial Change Remaining
A A NA0 -NA0X NA=NA0(1-X)
B B NB0=NA0ΘB -b/aNA0X NB=NA0(ΘB-b/aX)
C C NC0=NA0ΘC +c/aNA0X NC=NA0(ΘC+c/aX)
Then V = V0
NA N A 0 (1 − X )
CA = = = CA 0 (1 − X )
V V0
NB NA 0 b b
CB = = B − X = CA 0 B − X
V V0 a a
etc.
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Stoichiometry Constant Volume Batch
Suppose −rA = kA CA CB
2
Batch: V = V0
2 b
− rA = k AC A0 (1 − X ) B − X
2
a
Equimolar feed: B = 1
b
Stoichiometric feed: B =
a
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Stoichiometry Constant Volume Batch
If − rA = k AC A2CB , then
b
− rA = C A0
3
(1 − X ) B − X Constant Volume Batch
2
a
1
− rA
X
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Batch Reactor - Example
Calculate the equilibrium conversion for gas phase
reaction, Xe .
2A B
2 CB
− rA = k A C A −
KC
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Batch Reactor - Example
Calculate Xe C A0 = 0.2 mol dm3
KC = 20 dm3 mol
dX −rAV
Step 1: =
dt NA 0
Step 2: rate law: − rA = k A C 2A − k BC B
2 CB
− rA = k A C A −
KC
kA
KC =
kB
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Batch Reactor - Example
Symbol Initial Change Remaining
A NA0 -NA0X NA0(1-X)
B 0 ½ NA0X NA0 X/2
Stoichiometry: A → B/ 2
Constant Volume: V = V0
Batch
Species Initial Change Remaining
A NA0 -NA0X NA=NA0(1-X)
B 0 +NA0X/2 NB=NA0X/2
NT0=NA0 NT=NA0-NA0X/2
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Batch Reactor - Example
Xe
CA 0
2 Xe
Ke = =
CA0 (1 − Xe ) 2CA0 (1 − Xe )2
2
= 2(20 )(0.2) = 8
Xe
2K e C A 0 =
(1 − Xe )2
X eb = 0.703
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Flow System – Stoichiometry Table
Where: i = Fi 0 = Ci 0 0 = Ci 0 = yi 0 d c
and = + − − 1
b
FA 0 C A 0 0 CA0 yA0 a a a
FA
Concentration – Flow System CA =
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Flow System – Stoichiometry Table
FA FA 0 (1 − X )
CA = = = CA 0 (1 − X ) Flow Liquid Phase
0
NB NA 0 b b
CB = = B − X = CA 0B − X
0 a a
etc.
Stoichiometry
Rate Laws
Mole Balance
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End of Lecture 4
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