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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
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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
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dX
FA0
rA
dV

CB
rA k CA
KC

E 1 1

R T1 T

K C K C (T2 )e
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0
H Rx
1 1

R
T2 T

Review III
o Ex 8-3 Liq.-phase isomerization reaction 3
Sol)
- Stoichiometry (liquid phase, v = v0)

CA CA0 (1 X )
CB CA0 X
- Combine

- Integration

rA kCA0 1 1
KC
V

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FA0
dX
rA
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Review IV
o Ex 8-3 Liq.-phase isomerization reaction 4
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

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o
(H Rx
)X
T T0
iCPi
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Review V
o Ex 8-3 Liq.-phase isomerization reaction 5
- Parameter evaluation

- Substituting for activation energy

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Review VI
o Ex 8-3 Liq.-phase isomerization reaction 6
- Substituting for activation energy

- Substituting for heat of reaction

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Review VII
o Ex 8-3 Liq.-phase isomerization reaction 7
- Rate law

- Equilibrium conversion

(1) PFR solution


- Start with X = 0.2

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Review VIII
o Ex 8-3 Liq.-phase isomerization reaction 8

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Review IX
o Ex 8-3 Liq.-phase isomerization reaction 9

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Review X
o Ex 8-3 Liq.-phase isomerization reaction 10
- Calculation to get volume

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Review XI
o Ex 8-3 Liq.-phase isomerization reaction 11
- Calculation to get volume with Matlab

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Review XII
o Ex 8-3 Liq.-phase isomerization reaction 12

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Review XIII
o Ex 8-3 Liq.-phase isomerization reaction 13
- CSTR solution
Mole balance

Energy balance (for 40% conv.)

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Review XIV
o Ex 8-3 Liq.-phase isomerization reaction 14
- Calculation to get volume

for PFR at X = 0.4, V = 1.15 m3

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Review XV
o Ex 8-3 Liq.-phase isomerization reaction 15
- Reactor Sizing

- PFR: Shaded area is the volume

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Review XVI
o Ex 8-3 Liq.-phase isomerization reaction 16
- CSTR: Shaded area is the volume

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Review XVII
o Ex 8-3 Liq.-phase isomerization reaction 17
- CSTR: Shaded area is the volume

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4. Reversible Reactions IV
o Adiabatic Equilibrium
- Conversion on Temperature
- Exothermic H is negative
- Adiabatic Equilibrium temperature (Tadia) and
conversion (Xe,adia)

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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

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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 = ?

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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

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CA0 X e
CA0 (1 X e )
Ke

K e (T )
Xe
1 K e (T )
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4. Reversible Reactions VII


o Ex 8-6, Calculating the adiabatic equilibrium T 3
- 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

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4. Reversible Reactions VIII


o Ex 8-6, Calculating the adiabatic equilibrium T 4
- Equilibrium conversion

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4. Reversible Reactions IX
o Ex 8-6, Calculating the adiabatic equilibrium T 5
- Energy balance

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4. Reversible Reactions X
o Ex 8-6, Calculating the adiabatic equilibrium T 6

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4. Reversible Reactions V
o Adiabatic Equilibrium
- Endothermic H is positive
- Adiabatic Equilibrium temperature (Tadia) and
conversion (Xe,adia)

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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

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Self Test
(a) CRE algorithm,
- Combine
at equilibrium rA = 0

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Self Test
(b) Write the adiabatic energy balance

- Exothermic

Endothermic

Adiabatic Equilibrium
Temperature and Conversion
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Self Test
(c) Adiabatic Temperature and Conversion Profiles
- Exothermic

- Endothermic

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Self Test
(d) Energy Balance with Heat Exchange

(e) Constant Coolant Temperature Ta


- Exothermic

- Endothermic

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Self Test
(f) Variable Coolant Temperature Ta
- Exothermic

- Endothermic

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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
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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

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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

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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
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Self Test 3
o The elementary reaction in a packed bed reactor 3
- Case 2 - Slow Reaction: Equilibrium not achieved at
isothermal temperature, To

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Self Test 3
o The elementary reaction in a packed bed reactor 4
(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

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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?

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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

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7. Interstage Cooling/Heating II
o Interstage Cooling:

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