TRKKKK

8.
Steady-State Nonisothermal
Reactor Design
o Energy Balance
- Overview of User Friendly Energy Balance
Equations
- Manipulating the Energy Balance, HRx
o Reversible Reactions
o Adiabatic Reactions
o Applications of the PFR/PBR User Friendly Energy
Balance Equations
o Interstage Cooling/Heating
o Evaluating the Heat Exchanger Term
o Multiple Steady States
o Multiple Reactions with Heat Effects
Review I
o Ex 8-3 Liq.-phase isomerization reaction, p 490
- Normal butane, C4H10, isomerized in PFR
- Adiabatically, liquid phase, high pressure
k1 = 31.1 h-1 at 360 K
HRx = -6,900J/mol n-butane, E = 65.7 kJ/mol
KC = 3.03 at 60C, CA0 = 9.3 mol/dm3 = 9.3 kmol/m3
CPn-B = 141 J/mol K, CPi-B = 141 J/mol K
CPn-P = 161 J/mol K
VCSTR, VPFR = ? Processing 100,000 gal/day (163
kmol/h) at 70% conversion of mixture 90 mol % nbutane and 10 mol % i-pentane (inert), T0 = 330 K
May/09
2011 Spring
Review II
o Ex 8-3 Liq.-phase isomerization reaction 2
Sol)
n C 4 H10 i C 4 H10
AB
- Mole balance
- Rate law
k k (T1 )e
May/09
dX
FA0
rA
dV
CB
rA k CA
KC
E 1 1

R T1 T
K C K C (T2 )e
2011 Spring
0
H Rx
1 1

R
T2 T
Review III
Sol)
- Stoichiometry (liquid phase, v = v0)
CA CA0 (1 X )
CB CA0 X
- Combine
- Integration
rA kCA0 1 1
KC
V
May/09
FA0
dX
rA
2011 Spring
Review IV
Sol)
- Energy balance
n
o
Q W s FA0 i CPi T Ti 0 H RX
(TR ) CP T TR FA0 X 0
i 1
Given conditions
Adiabatic : Q 0
No work : W 0
C P C PB C PA 141 141 0
- Rearrangement
May/09
o
(H Rx
)X
T T0
iCPi
2011 Spring
Review V
- Parameter evaluation
- Substituting for activation energy
May/09
2011 Spring
Review VI
- Substituting for activation energy
- Substituting for heat of reaction
May/09
2011 Spring
Review VII
- Rate law
- Equilibrium conversion
(1) PFR solution

- Start with X = 0.2
May/09
2011 Spring
Review VIII
May/09
2011 Spring
Review IX
May/09
2011 Spring
10
Review X
- Calculation to get volume
May/09
2011 Spring
11
Review XI
- Calculation to get volume with Matlab
May/09
2011 Spring
12
Review XII
May/09
2011 Spring
13
Review XIII
- CSTR solution
Mole balance
Energy balance (for 40% conv.)
May/09
2011 Spring
14
Review XIV
- Calculation to get volume
for PFR at X = 0.4, V = 1.15 m3
May/09
2011 Spring
15
Review XV
- Reactor Sizing
- PFR: Shaded area is the volume
May/09
2011 Spring
16
Review XVI
- CSTR: Shaded area is the volume
May/09
2011 Spring
17
Review XVII
- CSTR: Shaded area is the volume
May/09
2011 Spring
18
4. Reversible Reactions IV
o Adiabatic Equilibrium
- Conversion on Temperature
- Exothermic H is negative
- Adiabatic Equilibrium temperature (Tadia) and
conversion (Xe,adia)
May/09
2011 Spring
19
4. Reversible Reactions V
o Exothermic Adiabatic Equilibrium
- Determine maximum conversion
X EB
C T T
Pi
H RX
entering temp. T0 to T01

parallel shift
May/09
2011 Spring
20
4. Reversible Reactions VI
o Ex 8-6, Calculating the adiabatic equilibrium T, p 513
- An elementary solid-catalyzed liquid-phase
AB
HA(298 K) = -40,000 cal/mol
HB(298 K) = -60,000 cal/mol
KC = 100,000 at 298 K
CPA = 50 cal/mol K, CPB = 50 cal/mol K
(a) Xe = f(T)?
(b) at 300 K, pure A fed, Xe, T = ?
May/09
2011 Spring
21
4. Reversible Reactions VII

o Ex 8-6, Calculating the adiabatic equilibrium T 2
Sol)
- Rate law
rA k CA B
Ke
- Equilibrium: -rA = 0
C Be
C Ae
Ke
- Sotichiometry: (v = v0)
- Solving for X
May/09
CA0 X e
CA0 (1 X e )
Ke
K e (T )
Xe
1 K e (T )
2011 Spring
22
4. Reversible Reactions VII

- Equilibrium constant: calculate CP then Ke(T)
C P C PB C PA 50 50 0
- Equilibrium constant with T
0
H Rx
1 1

K e (T ) K e (T1 ) exp
R T1 T
0
H Rx
H B0 H A0 20 ,000 cal/mol
May/09
2011 Spring
23
4. Reversible Reactions VIII

- Equilibrium conversion
May/09
2011 Spring
24
4. Reversible Reactions IX
- Energy balance
May/09
2011 Spring
25
4. Reversible Reactions X
May/09
2011 Spring
26
4. Reversible Reactions V
o Adiabatic Equilibrium
- Endothermic H is positive
- Adiabatic Equilibrium temperature (Tadia) and
conversion (Xe,adia)
May/09
2011 Spring
27
Self Test
o Liquid phase reaction follows an elementary rate law
- The reaction is to be carried out in a PFR

(a) CRE algorithm, sketch the temperature as a function
of conversion for an adiabatic endothermic reaction
and an adiabatic exothermic reaction
- Mole Balance
- Rate Law
- Stoichiometry
May/09
2011 Spring
28
Self Test
(a) CRE algorithm,
- Combine
at equilibrium rA = 0
May/09
2011 Spring
29
Self Test
(b) Write the adiabatic energy balance
- Exothermic
Endothermic
Adiabatic Equilibrium
Temperature and Conversion
May/09
2011 Spring
30
Self Test
(c) Adiabatic Temperature and Conversion Profiles
- Exothermic
- Endothermic
May/09
2011 Spring
31
Self Test
(d) Energy Balance with Heat Exchange
(e) Constant Coolant Temperature Ta

- Exothermic
- Endothermic
May/09
2011 Spring
32
Self Test
(f) Variable Coolant Temperature Ta
- Exothermic
- Endothermic
May/09
2011 Spring
33
Self Test 2
o Nonisothermal reactions
- The elementary isomerization of A to B was carried
out in a packed bed reactor. The following profiles
were obtained
(a) The above profiles could represent an adiabatic

system where the addition of inerts to the feed
stream will increase conversion.
T or F
May/09
2011 Spring
34
Self Test 2
o Nonisothermal reactions
(b) If the reaction is irreversible, a small decrease in the
flow rate will produce a small increase in the
conversion. T or F
(c) If the reaction is reversible, a small decrease in the
flow rate will produce a small increase in the
conversion. T or F
(d) An increase in the feed temperature will increase
the conversion. T or F
(e) A decrease in feed temperature will increase
conversion. T or F
May/09
2011 Spring
35
Self Test 3
o The elementary reaction in a packed bed reactor
(a) The above profiles could represent an adiabatic

system where the addition of inerts will increase the
conversion.
T or F
May/09
2011 Spring
36
Self Test 3
o The elementary reaction in a packed bed reactor 2
- Case 1 - Rapid Reaction: Equilibrium reached even
at isothermal temperature, To
- Inerts , exit temperature, equilibrium conversion

and the exit conversion
- As more and more inerts continue to be added, the
reactor approaches isothermal condition, To
May/09
2011 Spring
37
Self Test 3
- Case 2 - Slow Reaction: Equilibrium not achieved at
isothermal temperature, To
May/09
2011 Spring
38
Self Test 3
(b) The above profiles could represent a system where
decreasing the flow rate will increase the
conversion.
T or F
(c) The above profiles could represent a system where
if the feed temperature is increased, one cannot tell
from the above profiles whether or not the
conversion will increase or decrease.
T or F
May/09
2011 Spring
39
Self Test 4
o Two PFR's (A and B) for the same reaction
(a) Is the reaction exothermic or endothermic?

(b) Is the reaction reversible or irreversible?
May/09
2011 Spring
40
7. Interstage Cooling/Heating I
o Fixed Volume Exothermic Reactor
- Curve A
reaction rate slow
as temperature increases
rate increases and therefore
conversion increases.
- Curve B
reaction rate very rapid
virtual equilibrium reached in reaction conversion
dictated by equilibrium conversion
May/09
2011 Spring
41
7. Interstage Cooling/Heating II
o Interstage Cooling:
May/09
2011 Spring
42

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8.

- Substituting for activation energy

- Substituting for heat of reaction

(1) PFR solution

Energy balance (for 40% conv.)

for PFR at X = 0.4, V = 1.15 m3

- PFR: Shaded area is the volume

entering temp. T0 to T01

4. Reversible Reactions VII

4. Reversible Reactions VII

4. Reversible Reactions VIII

- The reaction is to be carried out in a PFR

(e) Constant Coolant Temperature Ta

(a) The above profiles could represent an adiabatic

(a) The above profiles could represent an adiabatic

- Inerts , exit temperature, equilibrium conversion

(a) Is the reaction exothermic or endothermic?

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