Batch Stoichiometric Table

Species Symbol Initial Change Remaining

D D
________ ____________
C C
B B
A A
Inert I
-------
where and

B
=
N
B0
N
A0
Concentration: Batch Systems
Constant Volume Batch:
Note: if the reaction occurs in the liquid phase
or
if a gas phase reaction occurs in a rigid (e.g., steel) batch reactor
Then
etc.
If then
And we have r
A
=f(X)
Flow System Stoichiometric Table
Species Symbol Initial Change Remaining
________ ____________
A
B B
A
C C
D D
Inert I
where and

B
=
F
B0
F
A0
Concentration: Liquid Flow System
Flow Stystem:
Liquid Phase Flow System:
etc.
If the rate of reaction were
then we would have
This gives us -r
A
= f(X). Consequently, we can use the methods discussed in
Chapter 2 to size a large number of reactors, either alone or in series.
Concentration: Gas Flow System

=
0
F
T
F
T
0
P
0
P
T
T
0
F
T
F
T 0
=
F
T 0
+ F
A 0
X
F
T 0
= 1+ y
A 0
X = 1 + X ( )
F
T
= C
T
and F
T 0
= C
T 0

0
=
C
T 0
C
T

0








C
T
=
P
RT
and C
T0
=
P
0
RT
0
with
C
A
=
F
A0
1 X
( )

THEN
Note that the reaction is: A + (b/a)B -(c/a)C + (d/a)D
THEN
IF the reaction rate is given by -r
A
= k C
A
2
CB
Multiple Reactions
Use molar flow rates and concentrations; DO NOT use conversion!
Types of Multiple Reactions
1. Series Reactions
2. Parallel Reactions
3. Complex Reactions: Series and Parallel
4. Independent
Selectivity and Yield
Instantaneous Overall
Selectivity
Yield:
Example: (1) desired product , r
D
=k
1
C
A
2
C
B
(2) undesired product , r
U
=k
2
C
A
C
B A+ B
k
2
U
1
Another example about Selectivity and Yield
(1) desired product , r
D
=k
1
C
A
2
C
B
(2) undesired product , r
U
=k
2
C
A
C
B
(3)
A+ B
k
2
U
1
A+ B
k
3
U
2
r
U
2
= k
3
C
B
C
A
3
S
D/U
1
/U
2
=
k
1
C
A
2
C
B
k
2
C
A
C
B
+k
3
C
B
C
A
3
then
=
k
1
C
A
k
2
+k
3
C
A
2
C
A
S
D/U1/U2
Algorithm for Multiple Reactions
Mole Balances
Net Rate of Reaction for Species A
Series Reactions
, t=0 C
A
=C
A0
Series Reactions
dC
C
dt
= k
2
C
B
, t = 0 C
C
= 0
Elementary Multiple Reactions
1
( )
A+ 2BC
2
( )
3C+2AD
r
1A
= k
1A
C
A
C
B
2
r
2C
= k
2C
C
A
2
C
C
3
r
A
= r
1A
+r
2A
r
A
= k
1A
C
A
C
B
2

2
3
k
2C
C
A
2
C
C
3
r
1A
= k
1A
C
A
C
B
2
r
2A
2
=
r
2C
3
r
2A
=
2
3
r
2C
=
2
3
k
2C
C
A
2
C
C
3
r
D
= 0 + r
2D
=
r
2C
3
r
D
=
1
3
k
2C
C
C
3
C
A
2
r
B
= r
1B
+ 0 = 2r
1A
r
B
= 2k
1A
C
A
C
B
2
r
1B
2
=
r
1A
1
r
1B
= 2r
1A
r
2B
= 0
r
C
= r
1C
+r
2C
= r
1A
+r
2C
r
C
= k
1A
C
A
C
B
2
k
2C
C
A
2
C
C
3
r
1A
1
=
r
1C
1
r
1C
= r
1A
r
2C
= k
2 C
C
A
2
C
C
3
r
1D
= 0
r
2C
3
=
r
2 D
1
Case 1:Liquid Phase Reaction in a CSTR
Case 1:Liquid Phase Reaction in a CSTR
Case 1:Liquid Phase Reaction in a CSTR
Polymath Solution
Polymath Solution
Polymath Solution
Elementary Multiple Reactions
1
( )
A+ 2BC
2
( )
3C+2AD
r
1A
= k
1A
C
A
C
B
2
r
2C
= k
2C
C
A
2
C
C
3
r
A
= r
1A
+r
2A
r
A
= k
1A
C
A
C
B
2

2
3
k
2C
C
A
2
C
C
3
r
1A
= k
1A
C
A
C
B
2
r
2A
2
=
r
2C
3
r
2A
=
2
3
r
2C
=
2
3
k
2C
C
A
2
C
C
3
r
D
= 0 + r
2D
=
r
2C
3
r
D
=
1
3
k
2C
C
C
3
C
A
2
r
B
= r
1B
+ 0 = 2r
1A
r
B
= 2k
1A
C
A
C
B
2
r
1B
2
=
r
1A
1
r
1B
= 2r
1A
r
2B
= 0
r
C
= r
1C
+r
2C
= r
1A
+r
2C
r
C
= k
1A
C
A
C
B
2
k
2C
C
A
2
C
C
3
r
1A
1
=
r
1C
1
r
1C
= r
1A
r
2C
= k
2 C
C
A
2
C
C
3
r
1D
= 0
r
2C
3
=
r
2 D
1
Example: Liquid Phase Reaction
Example: Liquid Phase Reaction
Example: Liquid Phase Reaction
Example: Liquid Phase Reaction
Multiple Reactions Gas Phase
Use Molar Flow Rates!!!
The Algorithm
The Algorithm
(given)
The Algorithm
Heterogeneous Catalytic Reaction
1-External diffusion of reactants towards the external surface of the catalyst pellet
2-Internal diffusion of reactants into the pores of the catalyst pellet
3- Adsorption of reactants on the active sites
4- Surface reaction
5- Desorption of products from active sites into the pore volume of the catalyst
pellet
6- Internal diffusion of products through the pores of the catalyst pellet towards
the external surface of the catalyst pellet
7- External diffusion of products to the bulk of the fluid
Molecular Adsorption
Molecular Adsorption
C
AS
=
K
A
P
A
1+ K
A
P
A
Steps of Catalytic Reaction
B
B
Steps of Catalytic Reaction
B
B
B
D
A
A
B
C
C D
A
B
C
+ D
C
D
+ C
+ D
Example: Catalytic Reaction to Improve
the Octane Number of Gasoline
Focusing on the second reaction:
Example: Catalytic Reaction to Improve
the Octane Number of Gasoline
Example: Catalytic Reaction to Improve
the Octane Number of Gasoline
r
N
= r
S
= k
S
C
N,S

C
IS
K
S








C
V
=
C
T
1+ K
N
P
N
+K
I
P
I
Different Surface Mechanisms