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Module 6
Module 6
IN REACTORS
CHE362
T P0
Gas Phase Flow System: υ = υ 0 (1 + εX )
T0 P
FA FA0 (1 − X ) C (1 − X ) T0 P
CA = = = A0
υ υ 0 (1 + εX )
T P0 (1 + εX ) T P0
T0 P
b b
FA0 Θ B − X C A0 Θ B − X
FB a a T0 P
CB = = =
υ υ (1 + εX ) T P0 (1 + εX ) T P0
0
T0 P 2
Pressure Drop in PBRs
Note: Pressure Drop does NOT affect liquid phase reactions
Sample Question:
Analyze the following second order gas phase reaction that occurs isothermally
in a PBR:
AB
Mole Balances
Must use the differential form of the mole balance to separate variables:
dX
FA0 = −rA′
Rate Laws dW
Second order in A and irreversible:
− rA′ = kC A2
3
Pressure Drop in PBRs
Stoichiometry FA (1 − X ) P T0
CA = = CA 0
υ (1+ εX ) P0 T
Isothermal, T=T0 (1 − X ) P
CA = CA 0
(1+ εX ) P0
2
dX kC (1 − X ) P
2 2
Combine: = A0
2
dW FA0 (1 + εX ) P0
4
Pressure Drop in PBRs
Ergun Equation: dP − G 1 − φ 150(1 − φ )µ
= 3 + 1
.75
G
dz ρg c D p φ Dp
TURBULENT
LAMINAR
Constant mass flow: m = m 0
ρυ = ρ 0υ0
υ0
ρ = ρ0
υ
FT P0 T
υ = υ0
FT 0 P T0
P0 T
υ = υ0 (1 + εX )
P T0 5
Pressure Drop in PBRs
P T0 FT 0
Variable Density ρ = ρ0
P0 T FT
dP −G 1 − φ 150(1 − φ )µ P0 T FT
= 3 + 1.75G
dz ρ 0 g c D p φ Dp P T0 FT 0
G 1 − φ 150(1 − φ )µ
Let β0 = 3 + 1.75G
ρ0 gc Dp φ Dp
6
Pressure Drop in PBRs
Catalyst Weight W = zAc ρ b = zAc (1 − φ )ρ c
2β 0 1
Let α=
Ac (1 − φ )ρ c P0
7
Pressure Drop in PBRs
d (P P0 ) α 1 T
=− (1 + εX )
dW 2 (P P0 ) T0
Isothermal case
8
Pressure Drop in PBRs
dX
= f ( X , P ) and dP = f ( X , P ) or
dW dW
The two expressions are coupled ordinary differential equations. We can
only solve them simultaneously using an ODE solver such as Polymath.
For the special case of isothermal operation and epsilon = 0, we can
obtain an analytical solution.
Polymath will combine the Mole Balances, Rate Laws and
Stoichiometry.
9
Packed Bed Reactors
10
1 Pressure Drop in a PBR
P
W
11
2 Concentration Profile in a PBR
CA P
CA = CA 0 (1 − X )
P0
No ∆P
∆P
W
12
3 Reaction Rate in a PBR
-rA
2
2 2P
−rA = kC = k (1 − X )
A
P0
No ∆P
∆P
W
13
4 Conversion in a PBR
X
No ∆P
∆P
W
14
5 Flow Rate in a PBR
∆P
For ε = 0 :
υ P0
υ = υ0
f = P
υ0
1
No ∆P
W
15
P0 T
υ = υ0 (1 + εX )
P T0
T = T0
16
Example 1:
Gas Phase Reaction in PBR for =0
Gas Phase reaction in PBR with δ = 0 (Analytical
Solution)
A + B 2C
Repeat the previous one with equimolar feed of A
and B and:
kA = 1.5dm6/mol/kg/min C A0 = C B 0
α = 0.0099 kg-1
Find X at 100 kg
C A0 X =?
CB 0
17
Example 1:
Gas Phase Reaction in PBR for =0
1) Mole Balance dX − r ' A
=
dW FA0
3) Stoichiometry
18
Example 1:
Gas Phase Reaction in PBR for =0
W =0 ,
4) Combine
dX kC
=
2
A0 (1 − X ) (1 − αW )
2
dW FA0
19
Example 1:
Gas Phase Reaction in PBR for =0
dX kC A2 0
= (1 − αW )dW
(1 − X ) FA0
2
X kC A2 0 αW 2
= W −
1− X FA0 2
W = 0, X = 0, W = W , X = X
X = 0.6 (with pressure drop )
X = 0.75 (without pressure drop, i.e. α = 0 )
20
Example 2:
Gas Phase Reaction in PBR for ≠0
The reaction
A + 2B C
is carried out in a packed bed reactor in which there is pressure drop.
The feed is stoichiometric in A and B.
22
Example 2:
Gas Phase Reaction in PBR for ≠0
4)
5)
6)
1 2
7) ε = y A0 [1 − 1 − 2] = [−2] = −
3 3
C A0 = 2, FA0 = 2, k = 6, α = 0.02
Initial values: W=0, X=0, p=1
Final values: W=100
Combine with Polymath.
If δ≠0, polymath must be used to solve. 23
Example 2:
Gas Phase Reaction in PBR for ≠0
24
Example 2:
Gas Phase Reaction in PBR for ≠0
25
T = T0
26
Robert the Worrier wonders: What if we increase the catalyst
size by a factor of 2?
Pressure Drop
Engineering Analysis
𝑀𝑀𝑀𝑀 ∗ 𝑃𝑃0
𝜌𝜌0 = 𝑀𝑀𝑀𝑀 ∗ 𝐶𝐶𝑇𝑇𝑇 =
𝑅𝑅𝑇𝑇0
2𝑅𝑅𝑇𝑇0 150 1 − 𝜙𝜙 𝜇𝜇
𝛼𝛼 = 𝐺𝐺 + 1.75𝐺𝐺
𝐴𝐴𝐶𝐶 𝜌𝜌𝐶𝐶 𝑔𝑔𝐶𝐶 𝑃𝑃02 𝐷𝐷𝑃𝑃 𝜙𝜙 3 𝑀𝑀𝑀𝑀 𝐷𝐷𝑃𝑃
2
1
𝛼𝛼 ≈
𝑃𝑃0
28
Pressure Drop
Engineering Analysis
29
Pressure Drop
Engineering Analysis
30
Heat Effects
Isothermal Design
Stoichiometry
Rate Laws
Mole Balance
31
End of Lecture 8
32
Pressure Drop - Summary
• Pressure Drop
• Liquid Phase Reactions
• Pressure Drop does not affect concentrations in liquid phase reactions.
• Gas Phase Reactions
• Epsilon does not equal to zero
d(P)/d(W)=…
Polymath will combine with d(X)/d(W) =… for you
• Epsilon = 0 and isothermal
P=f(W)
Combine then separate variables (X,W) and integrate
• Engineering Analysis of Pressure Drop
33
Pressure Change – Molar Flow Rate
FT P0 T
β0
dP FT 0 P T0
=−
dW ρA c (1 − ϕ)ρc
2β0
α=
P0 A C (1 − ϕ)ρC
C A0 X =?
CB 0 P=?
35
PBR
36