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CHAPTER 2

CONVERSION & REACTOR


SIZING

By
Wan Zaiton Wan Sulaiman
Objectives
Upon the completion of this chapter, students are
able to:

Define conversion

Rewrite the design equations

Size the reactors based on the rate given as a


function of conversion
Topic Outcomes
Define the conversion parameter
Derive the design equations in terms of
conversion
Apply the design equations (reactor sizing) for
continuous-flow reactors
Simplify the design equation by letting the
conversion represent the total moles reacted
up to a particular point in the series of
reactors
Conversion
Consider reaction
aA + bB cC + dD

Using basis stoichiometric coefficients,


A is a limiting reactant
b c d
Thus, A B C D
a a a
b c d
So, A
a
B C D
a a

Conversion of A is moles of A reacted


XA
moles of A feed
Design Equation : Batch System
moles of A reacted
(consumed ) N A0 X

where
[NA0] = moles of A fed
[X] = conversion of A after a t time.

Therefore,
Number of moles of A, NA remain after a t time, is

N A N A0 N A0 X
N A N A0 1 X
From moles balances equation (Differential form) for batch system is
rAV = dNA/dt
(Eq 2-5)
Knowing that (Eq 2-4), NA = NA0 NAOX ,
After differentiating with respect with t: dN A dX
(NA0 is constant to time) 0 N A0
dt dt

Then combine (Eq 2-5), the design equation is

dX
rAV N A0
dt

t NA0 0
Integrate with limit x
dX
t = 0 when X = 0
rAV
Design Equation : Flow System
For continuous system, time is proportional with volume.
Thus, conversion for flow system is a function of volume, V
[FA] = [FA0] - [FA0X]
= FA0 [1-X]

Where,
[FA] = molar flow rates of A leaves the system
[FA0] = molar flow rate of A fed to the system
X = Conversion of A
CSTR
Mole balance
V= (FA FAo)
rA

Knowing that
[FA] = [FA0] - [FA0X]

Thus,
FA0 X
V
rA exit
PFR
Mole balance,
- dFA/dV = - rA

Differentiating [FA] = [FA0] - [FA0X]


dFA = -FA0dX
Thus,

V FA0 0
dX x
FA0 rA dX
dV
rA
PBR
Mole balance,
- dFA/dW = - rA

Differentiating [FA] = [FA0] -


[FA0X]
dFA = -FA0 dX
Thus,

W FA0 0
x
dX dX
FA0 r ' A
dW r ' A
Gas system
FA0 = CA00
PAo y Ao Po
C Ao
RTo RTo
CA0 = entering concentration, mol/dm3
yA0 = entering mole fraction of A
P0 = entering total Pressure, Po
To = entering temperature
PA0 = entering partial pressure, kPa
R = ideal gas constant
Example 2-1
A gas mixture consists of 50% A and 50% inerts at
10 atm (1013 kPa) and enters the reactor with a
volumetric flowrate of 6 dm3/s at 300oF (422.2 K).
Calculate the entering concentration of A, CAo, and
the entering molar flow rate, FAo.
R = 0.082 dm3.atm/mol.K
Reactor Sizing
The CSTRs and PFRs can be sized by:

Given rA with a function of conversion

Construct Levenspiel plot by plotting either FAO/-rA or 1/-


rA as a function of X.
Levenspial Plot
Sizing PFR- Numerical Evaluation of Integrals
(Appendix A.4)

1. Trapezoidal Rule (2-point)


2. Simpsons one-third rule (3-point)
3. Simpsons three-eight rules (4-point)
4. Five-point quadrature formula (5-point)
1.Trapezoidal Rule (2-point)
x1

f x dx f x0 f x1 ,
h

x0
2 h x1 x0

2.Simpsons one-third rule (3-point)


x2
f x dx f x0 4 f x1 f x2 , h x2 x0
h
3
x0 2
3. Simpsons three-eight rules (4-point)
x3 x0
x3

f x dx h f x0 3 f x1 3 f x2 f x3 , h
3

x0
8 3

4. Five-point quadratic formula (5-point)


x4 x0
x4

f x dx f 0 4 f1 2 f 2 4 f 3 f 4 , h
h

x0
3 4
Example 2-2: Sizing a CSTR
Using the data in either Table 2-2 or Figure 2-1,

a) Calculate the volume necessary to achieve 80% conversion in a


CSTR (Use data from Ex-2-1).

X 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.85
-rA 0.0053 0.0052 0.0050 0.0045 0.0040 0.0033 0.0025 0.0018 0.00125 0.001

1/-rA 189 192 200 222 250 303 400 556 800 1000

b) Shade the area in figure 2-2 that would give the CSTR volume
necessary to achieve 80% conversion
Example 2-3: Sizing a PFR
The reaction described by the data in Table 2-1 & 2-2 is to be
carried out in a PFR. The entering molar flow rate of A is 0.866
mol/s. Calculate the reactor volume necessary to achieve 80%
conversion in a PFR:

a) First, use one of the integration formulas given in Appendix


A.4
b) Next, shade the area in Figure 2.1 which when multiplied by
FAo would give the PFR volume.
Comparing CSTR and PFR Sizes

Which one is smaller?


- CSTR or PFR??

For the same flow rate FAo, PFR


requires smaller volume than CSTR
to achieve X = 0.8
FAO
Reactors in Series
X1 X2
1
FA1 FA2
2
CSTR X3
PFR
3 FA3

Moles of A reacted up to reactor n CSTR


Xn
Moles of A feed to first reactor

Valid with no side stream*


Example 2-5 Comparing Volumes for
CSTRs in Series
For the two CSTRs in series, 40% conversion is achieved in
the first reactor. What is the volume of each of the 2
reactors necessary to achieve 80% overall conversion of the
entering species A ?
X 0.0 0.1 0.2 0.4 0.6 0.7 0.8

FA0/-rA 0.89 1.09 1.33 2.05 3.54 5.06 8.0


(m3)
Example 2-6 Sizing PFRs in series

Using either the data in the previous table, calculate the


reactor volume V1 and V2 for the plug-flow sequence
when the intermediate conversion is 40% and the final
conversion is 80%.
Reactor Design Equations in
term of the Conversion
Differential Algebraic Integral
Equation Equation Equation
dX X
dX
Batch N A0 rAV t N A0
dt 0
rAV
FA0 X out X in
V
CSTR (rA ) out
X out
dX dX
PFR FA0 rA V FA0
dV X in
rA
X out
dX dX
PBR FA0 rA' W FA0 '
dW X in
rA