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Lecture 4
Block 1
Mole Balances
Size CSTRs and PFRs given rA=f(X)
Block 2
Rate Laws
Reaction Orders
Arrhenius Equation
Block 3
Stoichiometry
Stoichiometric Table
Definitions of Concentration
Calculate the Equilibrium Conversion, Xe
2
Reactor
Batch
Differential
N A0
PBR
dX
t N A0
rAV
0
V
dX
FA 0
rA
dV
dX
FA 0
rA
dW
Integral
X
dX
r AV
dt
CSTR
PFR
Algebraic
X
t
FA 0 X
rA
X
dX
V FA0
rA
0
X
W FA0
0
X
dX
rA
Review Lecture 2
Levenspiel Plots
FA 0
rA
Review Lecture 2
PFR
Review Lecture 2
Reactors in Series
Review Lecture 2
Reactors in Series
Review Lecture 2
rA f X
Two steps to get
Step 1: Rate Law rA g Ci
Step 2: Stoichiometry
Ci h X
Review
Lecture 3
Building
Block 2: Rate
Laws
Power Law Model:
rA kC C
2 A B 3C
order in A
order in B
Overall Rection Order
rA k AC C B
2
A
Review Lecture 3
Arrhenius Equation
k Ae
E RT
k
10
T k A
T 0 k 0
A 1013
Review Lecture 3
Reaction Engineering
Mole Balance
Rate Laws
Stoichiometry
11
Review Lecture 3
Algorithm
How to find r
fX
Ci h X
12
Stoichiometric Tables
13
Consider: aA + bB cC + dD
A + b/a B c/a C + d/a D
Table
Species
Symbol
A
B
C
D
I
total
14
Initial
moles
Change
in moles
Remaining
moles
Initial
moles
Change in
moles
N AO
- ( N AO X )
b
- ( N AO X )
a
c
( N AO X )
a
d
( N AO X )
a
-
N BO B N AO
N CO C N AO
N DO D N AO
N IO I N AO
Total
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N TO
Remaining moles
N A N AO (1 X )
b
N B N AO ( B X )
a
c
NC NAO ( c X )
a
d
ND NAO (D X )
a
N I N IO
N T N TO (
d c b
1) N AO X
a a a
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1
a
a
a
Example: N 3H 2 NH
2
2
3
for H2 = (2/3) (1/3) - 1
17
i0
i0
NA 0 C A 0
3NaOH + (C17H35COO)3C3H5
3 C17H35COONa + C3H5(OH) 3
18
Species
Symbol
A
B
C
D
I
Total
19
Initial
Change
Remaining
Feed Flow
Rate
(mol/s)
Change
within
Reactor
(mol/s)
A
B
FAO
- ( FAO X )
FBO B FAO
FCO C FAO
FA FAO (1 X )
b
FB FAO ( B X )
a
FDO D FAO
FIO I FAO
Total
FTO
20
b
( FAO X )
a
c
( FAO X )
a
d
( FAO X )
a
-
c
X)
a
d
FD FAO ( D X )
a
FC FAO ( c
FI FIO
FT FTO FAO X
Consider:
Ca(OH)2 + 2HCl CaCl2 + H2O
Species Symbol
Initial
Change
Remaining
A
B
C
D
I
Total
21
b
c
d
A B C D
a
a
a
A is the limiting reactant.
22
Stoichiometry
NA NA 0 NA 0 X
N B0 b
b
N B N B 0 N A0 X N A0
X
a
N A0 a
Let B = NB0/NA0
Then:
23
b
N B N A0 B X
a
c
c
NC NC 0 N A 0 X N A 0 C X
a
a
Symbol
Initial
Change
NA0
-NA0X
NB0=NA0B
-b/aNA0X
NC0=NA0C
ND0=NA0D
Inert
NI0=NA0I
NT0
Where:
24
Remaining
NA=NA0(1-X)
NB=NA0(Bb/aX)
+c/aNA0X NC=NA0(C+c/aX
)
+d/aNA0 ND=NA0(D+d/aX
X
)
---------NI=N
A0 I
NT=NT0+NA0X
Ni0
Ci 0 0
Ci 0
yi 0
d c b
i
1
N A0 C A0 0 C A0 y A0 and
a a a
NA
N 1 X
A0
CA 0 1 X
V
V0
NB
N A 0
b
b
CB
B X CA 0 B X
V
V0
a
a
25
etc.
Batch: V V0
b
3
2
rA k AC A0 1 X B X
a
Equimolar feed:
B 1
b
Stoichiometric feed: B
a
26
rA C A0
b
1 X B X Constant Volume Batch
a
and we have rA f X
27
1
rA
X
2A B
rA k A C A
28
CB
KC
C A0 0.2 mol dm 3
K C 20 dm 3 mol
dX rAV
Step 1:
dt
NA 0
2
rA k A C A k BC B
Step 2: rate law:
rA k A C A
KC
29
kA
kB
CB
KC
Initial
Change
Remaining
NA0
-NA0X
NA0(1-X)
NA0X
NA0 X/2
Totals: NT0=NA0
@ equilibrium: -rA=0
CBe
Ke 2
CAe
30
C Be
0C
KC
2
Ae
CAe
CBe
N Ae
CA 0 1 X e
V
Xe
CA 0
2
rA 0 k A C Ae
Stoichiometry:
Constant Volume:
C Be
KC
C Be
KC 2
C Ae
A B/ 2
V V0
Batch
Species
A
Initial
NA0
Change
-NA0X
Remaining
NA=NA0(1-X)
+NA0X/2
NB=NA0X/2
NT0=NA0
31
NT=NA0-NA0X/2
2
2
C A 0 1 X e 2C A 0 1 X e
2K e C A 0
Xe
2 20 0.2 8
2
1 X e
X eb 0.703
32
Species
Symbol
Reactor Feed
Change
Reactor Effluent
FA0
-FA0X
FA=FA0(1-X)
FB0=FA0B
b/aFA0X
FB=FA0(Bb/aX)
33
CA 0 0
CA 0
yA 0
Symbol
Reactor Feed
Change
FC0=FA0C
+c/aFA0X
FC=FA0(C+c/aX)
FD0=FA0D
+d/aFA0X
FD=FA0(D+d/aX)
Inert
FI0=A0I
----------
FI=FA0I
FT0
FT=FT0+FA0X
Where: i Fi 0 Ci 0 0 Ci 0 y i 0
FA 0
C A 0 0
CA0
yA0
Reactor Effluent
d
a
c
a
b
a
and 1
CA
FA
Species
Symbol
Reactor Feed
Change
Reactor Effluent
FA0
-FA0X
FA=FA0(1-X)
FB0=FA0B
-b/aFA0X
FB=FA0(B-b/aX)
FC0=FA0C
+c/aFA0X
FC=FA0(C+c/aX)
FD0=FA0D
+d/aFA0X
FD=FA0(D+d/aX)
Inert
FI0=FA0I
----------
FI=FA0I
FT0
FT=FT0+FA0X
Where: Fi 0 Ci 0 0 Ci 0 y i 0
i
FA 0
35
C A 0 0
CA0
and
yA0
F
d c b
1
a a a
Stoichiometry
Concentration Flow System:
FA
CA
FA FA 0 1 X
CA
0
FB FA0
b
b
CB
B X C A0 B X
0
a
a
etc.
36
Heat Effects
Isothermal Design
Stoichiometry
Rate Laws
Mole Balance
37
End of Lecture 4
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