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REACTION ENGINEERING
CKB 20104
Chapter 2
Conversion & Reactor Sizing
Dr. Kelly Yong Tau Len
Section of Chemical Engineering Technology UniKL MICET
Tel: 06-5512051
Email: kytlen@unikl.edu.my,
VLE: CKB20104 - kytlen_MICET
Objectives
Upon the completion of this chapter, students are able
Chapter 2 to:
Define conversion.
Evaluate the design equations to size batch and flow
reactors.
Size the reactors given the rate of reaction as
function of conversion.
Calculate the overall conversion and reactor volumes
for reactors arranged in series.
Define and determine space velocity and space time.
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Definition of Conversion
A→ B
The conversion, XA or X is the number of moles/molar flow rate of reactant
A that have reacted per mole/molar flow rate of A fed to the system
Moles of A reacted Moles of A fed − Moles of A unreacted(outlet)
XA = =
Moles of A fed Moles of A fed
FA0 − FA
For molar flow rate, X A = ⇒ FA = FA0 (1− X )
FA0
N A0 − N A
For no. of moles, X A = ⇒ N A = N A0 (1− X )
N A0
• For irreversible reactions, maximum conversion is complete conversion,
X = 1.0 (100%)
• For reversible reactions, maximum conversion is equilibrium conversion,
i.e. X = Xe
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Design Equations:
Batch, CSTR And
PFR Reactor
A
Identify B
which
reactor is
Test Your CSTR, PFR,
Understanding and Batch
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A→ B
In batch system, the conversion of reactant A, X is a
function of number of moles of A, NA.
NAo N A0 − N A
NA XA =
N A0
or N A = N A0 − N A0 X
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N A = N A0 − N A0 X 4
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6 dX dX
−N A0 = rAV N A0 = −rAV 7
dt dt
From equation 7 and integrate with the limits (reaction time, t with
conversion, X) to obtain the design equation in INTEGRAL FORM
dX X
dX
N A0 = dt tbatch = N A0 ∫ 8
−rAV 0 −rAV
X
dX
tbatch = N A0 ∫
0 −rAV
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FAo A→ B
In flow system, the conversion of
FA reactant A, X is a function of molar flow
rate (moles/time) of A.
FA0 − FA
FAo FA
XA =
FA0
or FA = FA0 − FA0 X
V
No spatial variations in the rate of reaction
∫r A dV = rAV 3
FA0 − FA
Rearrange equation 4 to obtain DESIGN EQUATION VCSTR = 5
for CSTR −rA
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dN A
Operated at steady state (conditions do not change =0 2
with time) dt
No accumulation of A within system
V
FA0 − F A + ∫ rA .dV = 0 3
Substitute Eq. 2 into Eq. 1
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FA = FA0 − FA0 X 5
4 6
dF A dFA dX dX
= rA AND = −FA0 FA0 = −rA 7
dV dV dV dV
• From Eq.7 and integrated with the limits V = 0 when X = 0 to obtain the
design equation in INTEGRAL FORM
X
FA0 dX dX
= dV VPFR = FA0 ∫ 8
−rA 0 −rA
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FA0 1
(- rA ) −rA
X X
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833.33
1
−rA
X
0.7
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X
1 dX
−rA VPFR = FA0 ∫
0 −rA
X
As we can see, it is not easy to determine the area under the curve of
the Levenspiel Plot.
We need to use Simpson's Rule
1 X Initial
−rA( X Point Middle Final
0)
X0 X1 X2 Point Point
ΔX ΔX Final
conversion
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Example 1/ −rA
833.33
The reaction A à B is to be carried
out in a PFR. Species A enters the
reactor at a molar flow rate of 0.4
mol/s. Using the Levenspiel Plot, 291.39
calculate the volume necessary to 222.22
achieve 70% conversion in a PFR.
0.00 0.35 0.7
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Reactor In Series
Reactor In Series
FAO
1 X1 and FA1 X2 and FA2
2
CSTR
i=1 PFR i=2 CSTR
3
X3 and FA3
FA0 − FA1 F − FA2 F − FA3 i=3
X1 = , X 2 = A0 , X 3 = A0
FA0 FA0 FA0
Therefore;
FA1 = FA0 (1− X 1 ), FA2 = FA0 (1− X 2 ), FA3 = FA0 (1− X 3 )
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Reactor In Series
(CSTR in Series)
0.4
mol/s Conversion, –rA
X1 = 0.4 X (mol/dm3.s)
CSTR 1
0.0 0.0045
0.1 0.0044
0.2 0.0042
2
F ( X − X1) 0.3 0.0037
VCSTR,2 = A0 2
−rA2 0.4 0.0032
CSTR X2 = 0.7
mol 0.5 0.0025
0.4 (0.7 − 0.4) 0.6 0.0017
= s Total Volume, VCSTR,TOTAL
mol = VCSTR,1 + VCSTR,2 0.7 0.0012
0.0012 3 0.8 0.0010
dm .s = 50 + 100 dm3
= 100dm 3 = 150 dm3
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1/ −rA
VCSTR,2 Single CSTR
VCSTR,1 X
0.0 0.4 0.7 VCSTR,TOTAL = 233.33 dm3
Reactor In Series
(PFR in Series)
X1
dX
VPFR,1 = FA0 ∫
0 −rA1
$ '
ΔX & 1 4 1
= FA0 + + )
3 &% −rA( X ) −rA( X −rA( X ) )(
0 middle ) 1
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Reactor In Series
(PFR in Series)
X2
dX
VPFR,2 = FA0 ∫
X 1 −rA1
ΔX $ 1 4 1 '
= FA0 & + + )
3 &% −rA( X 1) −rA( Xmid ) −rA( X 2) )(
Reactor In Series
(PFR in Series)
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Reactor In Series
(PFR in Series)
X1 = 0.4
0.4
1 Conversion, –rA
mol/s X (mol/dm3.s)
–rA1
X2 = 0.7
PFR 0.0 0.0045
2 0.1 0.0044
PFR
ΔX
0.2 0.0042
ΔX
0.0 0.2 0.4 0.3 0.0037
0.4 0.0032
).K BC ∆C H K H
𝑉>?%,H =∫) = 𝐹() + + 0.5 0.0025
DEF 2 DEF(I) DEF(I.S) DEF(I.V)
0.4𝑚𝑜𝑙 0.2 1 4 1 𝑑𝑚2 . 𝑠 0.6 0.0017
𝑉>?%,H = + +
𝑠 3 0.0045 0.0042 0.0032 𝑚𝑜𝑙 0.7 0.0012
= 39.66𝑑𝑚2
0.8 0.0010
Reactor In Series
(PFR in Series)
X1 = 0.4
0.4
1 Conversion, –rA
mol/s
–rA1 X (mol/dm3.s)
X2 = 0.7
PFR 0.0 0.0045
2 0.1 0.0044
ΔX ΔX PFR
0.4 0.55 0.7 0.2 0.0042
0.3 0.0037
).A BC ∆C H K H
𝑉>?%,W =∫).K = 𝐹() + + 0.4 0.0032
DEF 2 DEF(I.V) DEF(I.MM) DEF(I.N)
0.4𝑚𝑜𝑙 0.15 1 4 1 𝑑𝑚2 . 𝑠 0.5 0.0025
𝑉>?%,W = + +
𝑠 3 0.0032 0.0021 0.0012 𝑚𝑜𝑙 0.6 0.0017
= 61.01𝑑𝑚2
0.7 0.0012
Total Volume, VPFR,TOTAL = VPFR,1 + VPFR,2 0.8 0.0010
= 39.66 + 61.01 dm3 = 100.67 dm3
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SUBSEQUENTLY
CALCULATE THE
SINGLE PFR VOLUME
TO ACHIEVE THE SAME
OVERALL CONVERSION
(70%)
CALCULATE YOURSELF
Reactor In Series
(PFR in Series)
1/ −rA Comparison from this 2 Levenspiel plots tells
us why to achieve the same overall
VPFR,TOTAL = 100.67 dm3
conversion, the total volume for 2 PFRs in
series is identical to that required for 1 PFR
1/ −rA
VPFR,TOTAL = 102.59 dm3
VPFR,2
VPFR,1
0.00 0.4 0.7
PFRs in Series
VPFR
0.00 0.7
Single PFR
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Reactor In Series
(Combination of CSTRS And PFRs In
Series)
Example
–rA
X
X1 and FA1 (mol/dm3.s)
FAO 1 0.0 0.0053
–rA1
0.1 0.0052
PFR
0.2 0.0050
CSTR 2
0.3 0.0045
X2 and FA2 0.4 0.0040
–rA2 0.5 0.0033
Calculate the individual reactor volumes as well as the total 0.6 0.0025
reactor volume for the PFR–CSTR in series based on the 0.7 0.0018
reaction data given in the table when the intermediate 0.8 0.00125
conversion of 50% and final conversion of 80% with FA0 0.85 0.001
= 0.867 mol/s
Reactor In Series
(Combination of CSTRS and PFRs
in Series)
X1 = 0.5 –rA
0.867 X
1 (mol/dm3.s)
mol/s
0.0 0.0053
PFR
0.1 0.0052
CSTR 2
X2 = 0.8 0.2 0.0050
0.3 0.0045
0.5 dX ΔX ΔX
VPFR,1 = FAO ∫ 0.4 0.0040
0 0.25 0.5
−rA 0.0
0.5 0.0033
mol # 0.25 &# 1 4 1 & 0.6 0.0025
= 0.867 % (% + + (
s $ 3 '%$ −rA( X =0) −rA( X =0.25) −rA( X =0.5) (' 0.7 0.0018
mol # 0.25 &# 1 4 1 & 1 0.8 0.00125
= 0.867 % (% + + (
s $ 3 '$ 0.0053 0.00475 0.0033' mol / dm3 .s 0.85 0.001
= 96.37 dm3
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Reactor In Series
(Combination Of CSTRS And PFRs In
Series)
X1 = 0.5 –rA
0.867 X
1 (mol/dm3.s)
mol/s
0.0 0.0053
PFR
0.1 0.0052
CSTR 2
X2 = 0.8 0.2 0.0050
FA0 ( X 2 − X 1 ) 0.3 0.0045
VCSTR,2 = 0.4 0.0040
−rA2
0.5 0.0033
mol
0.867 (0.8 − 0.5) Total Volume, VTOTAL 0.6 0.0025
= s 0.7 0.0018
mol = VPFR,1 + VCSTR,2
0.00125 3 0.8 0.00125
= 96.37 + 208.08 dm3
dm .s 0.85 0.001
= 208.08dm 3 = 304.45 dm3
Reactor In Series
(Combination Of CSTRS And PFRs
In Series)
0.867 –rA
X
mol/s (mol/dm3.s)
0.0 0.0053
1 0.1 0.0052
CSTR
X1 = 0.5 X2 = 0.8 0.2 0.0050
2 0.3 0.0045
PFR 0.4 0.0040
F X
VCSTR,1 = A0 1 0.5 0.0033
−rA1 0.6 0.0025
mol 0.7 0.0018
0.867 (0.5)
= s = 131.36dm3 0.8 0.00125
mol 0.85 0.001
0.0033 3
dm .s
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Reactor In Series
(Combination Of CSTRS And PFRs
In Series)
0.867 –rA
mol/s X
(mol/dm3.s)
0.0 0.0053
1 PFR 0.1 0.0052
CSTR
X1 = 0.5 X2 = 0.8 0.2 0.0050
2
0.3 0.0045
0.8 dX ΔX ΔX 0.4 0.0040
VPFR,2 = FAO ∫
0.5
−rA 0.5 0.65 0.8
0.5 0.0033
mol # 0.15 &# 1 4 1 & Total Volume, VTOTAL 0.6 0.0025
= 0.867 % (% + + ( = VCSTR,1 + VPFR,2
s $ 3 '%$ −rA( X =0.5) −rA( X =0.65) −rA( X =0.8) (' 0.7 0.0018
= 131.36 + 128.47 dm3
mol # 0.15 &# 1 4 1 & 1 0.8 0.00125
= 0.867 % (% + + ( = 259.83 dm3
s $ 3 '$ 0.0033 0.00215 0.00125 ' mol / dm3 .s 0.85 0.001
= 128.47 dm3
Reactor In Series
(Combination Of CSTRS And PFRs In
Series)
PFR–CSTR CSTR–PFR
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SUBSEQUENTLY
CALCULATE THE SINGLE
PFR AND CSTR VOLUME
TO ACHIEVE THE SAME
OVERALL CONVERSION
(80%)
CALCULATE YOURSELF
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1 L/s V = 4L
• The time it takes for the fluid to enter the reactor completely is the
space time.
• Consider the PFR shown above with volume of 4L and the length of
20m.
• If the volumetric flow rate were 1 L/s, the space time is 4L/1Ls-1 = 4s.
• In other words, it would take 4s for the fluid at point A to move to point
B, which is going across the entire reactor length.
Reaction Time:
SPACE Time required to hold up the particles in the
batch reactor for the required conversion to
TIME take place
AND
SPACE Space Time:
Time required to process 1 reactor volume of
VELOCITY fluid in a flow reactor
Residence Time:
Average amount of time that a particle
spends in a flow reactor
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