Lecture 5b
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.
Lecture 5b
Block 1:
Block 2:
Block 3:
Block 4:
Mole Balances
Rate Laws
Stoichiometry
Combine
Pressure Drop
Pressure Drop in PBRs
Concentration Flow System:
FA
= 0 (1 + X
CA =
FA
FA 0 (1 X )
C (1 X ) T0 P
= A0
T P0
(1 + X ) T P0
0 (1 + X )
T0 P
)T
T0
P0
P
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:
Mole Balances
Must use the differential form of the mole balance to
separate variables:
Rate Laws
Second order in A and irreversible:
4
Pressure Drop in PBRs
Stoichiometry
Isothermal, T=T0
FA
(1 X ) P T0
CA =
= CA 0
(1+ X ) P0 T
(1 X ) P
CA = CA 0
(1+ X ) P0
Pressure Drop in PBRs
Ergun Equation:
dP
G 1 150(1 )
3
=
+ 1
.75
G
dz g c D p
Dp
TURBULENT
LAMINAR
Constant mass flow:
P0 T
= 0 (1 + X )
P T0
Pressure Drop in PBRs
Variable Density
Let
G
0 =
0 gc Dp
P T0 FT 0
= 0
P0 T FT
1 150(1 )
3
+ 1.75G
Dp
Pressure Drop in PBRs
Catalyst Weight
W = zAc b = zAc (1 ) c
0
P0 T FT
dP
=
dW Ac (1 ) c P T0 FT 0
Let
8
2 0
1
=
Ac (1 ) c P0
Pressure Drop in PBRs
dy
T FT
=
dW
2 y T0 FT 0
P
y=
P0
We will use this form for single reactions:
d (P P0 )
1 T
(1 + X )
=
dW
2 (P P0 ) T0
Isothermal case
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Pressure Drop in PBRs
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.
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Polymath will combine the Mole Balances, Rate Laws
and Stoichiometry.
Packed Bed Reactors
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Example 4-4 Calculating Pressure Drop
in a Packed Bed
Calculate the pressure drop in a 60 ft length of 1 1/2-in.
schedule 40 pipe packed with catalyst pellets 114-h. in
diameter when 104.4 lb/h of gas is passing through the bed.
The temperature is constant along the length of pipe at
260C. The void fraction is 45% and the properties of the
gas are similar to those of air at this temperature. The
entering pressure is 10 atm.
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13
1 Pressure Drop in a PBR
P
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2 Concentration Profile in a PBR
No P
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3 Reaction Rate in a PBR
-rA
P
rA = kC = k (1 X )
P0
2
A
No P
P
W
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4 Conversion in a PBR
X
No P
P
W
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5 Flow Rate in a PBR
P
f =
0
1
NoP
W
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T = T0
P0
y=
P
0
1
f = =
(1 + X ) y
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Example 4.5: Effect of Pressure Drop
on the Conversion
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21
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1. Mass transfer (diffusion) of the reactant(s) (e.g., species A) from the bulk fluid to the
external surface of the catalyst pellet
2. Diffusion of the reactant from the pore mouth through the catalyst pores to the
immediate vicinity of the internal catalytic surface
3. Adsorption of reactant A onto the catalyst surface
4. Reaction on the surface of the catalyst (e.g., A B)
5. Desorption of the products (e.g., B) from the surface
6. Diffusion of the products from the interior of the pellet to the pore mouth at the
external surface.
7. Mass transfer of the products from the external pellet surface to the bulk fluid
Finding the optimum particle diameter
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Example 4-6: Calculating X in a Reactor
with Pressure Drop
Calculate the catalyst weight necessary to achieve 60% conversion when ethylene
oxide is to be made by the vapor-phase catalytic oxidation of ethylene with air.
Ethylene and oxygen are fed in stoichiometric proportions to a packed-bed reactor
operated isothermally at 260C. Ethylene is fed at a rate of 0.30 Ib mol/s at a
pressure of 10 atm. It is proposed to use 10 banks of 1 f -in.-diameter schedule 40
tubes packed with catalyst with 100 tubes per bank. Consequently, the molar flow
rate to each tube is to be 3 X Ib mol/s. The properties of the reacting fluid are to
be considered identical to those of air at this temperature and pressure. The
density of the a -in.-catalyst particles is 120 lb/ft3 and the bed void fraction is
0.45. The rate law is:
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25
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Example 1:
Gas Phase Reaction in PBR for =0
Gas Phase reaction in PBR with = 0 (Analytical
Solution)
Repeat the previous one with equimolar feed of A
and B and:
kA = 1.5dm6/mol/kg/min C A0 = C B 0
= 0.0099 kg-1
Find X at 100 kg
C A0
CB 0
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X =?
Example 1:
Gas Phase Reaction in PBR for =0
1) Mole Balance
dX r ' A
=
dW
FA0
2) Rate Law
r ' A = kC AC B
C B = C A0 (1 X ) y
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Example 1:
Gas Phase Reaction in PBR for =0
dy
=
dW
2y
W =0
2, ydy = dW
y 2 = 1 W
, y =1
4) Combine
dX kC A2 0 (1 X ) (1 W )
=
dW
FA0
2
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Example 1:
Gas Phase Reaction in PBR for =0
kC A2 0
dX
(1 W )dW
=
2
(1 X ) FA0
X = 0.6 (with pressure drop )
X = 0.75 (without pressure drop , i.e. = 0 )
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Example 2:
Gas Phase Reaction in PBR for 0
The reaction
is carried out in a packed bed reactor in which there is
pressure drop. The feed is stoichiometric in A and B.
Plot the conversion and pressure ratio y = P/P0 as a
function of catalyst weight up to 100 kg.
Additional Information
kA = 6 dm9/mol2/kg/min
= 0.02 kg-1
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Example 2:
Gas Phase Reaction in PBR for 0
A + 2B C
1) Mole Balance
dX rA
=
dW FA0
3) Stoichiometry: Gas, Isothermal
P0
= 0 (1 + X )
P
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Example 2:
Gas Phase Reaction in PBR for 0
4)
dy
(1 + X )
=
5)
dW
2y
1
2
7) = y A0 [1 1 2] = [ 2] =
3
3
C A0 = 2, FA0 = 2, k = 6, = 0.02
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Initial values: W=0, X=0, y=1
Final values: W=100
Combine with Polymath.
If 0, polymath must be used to solve.
Example 2:
Gas Phase Reaction in PBR for 0
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Example 2:
Gas Phase Reaction in PBR for 0
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T = T0
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Pressure Drop
Engineering Analysis
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150 1
+ 1.75
Pressure Drop
Engineering Analysis
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Pressure Drop
Engineering Analysis
40
Heat Effects
Isothermal Design
Stoichiometry
Rate Laws
Mole Balance
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End of Lecture 5b
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