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Chapter 2
Chapter 2
•Rubber
(cis-polyisoprene) decomposes in a
calorimeter bomb into gases products at
500oC. From the reaction data, the decrease
of its concentration (mol/L) follows this
expression
, where t is time in minutes
Determine the rate law of this reaction and
the unit of rate constant
1
Exercise
• Tests were run on a small experimental
reactor used for decomposing NO2 in an
automobile exhaust stream. In one series
of tests, a nitrogen stream containing
various concentrations of NO2 was fed to a
reactor, and the kinetic data obtained are
shown in the following figure. Each point
represents one complete run. The reactor
operates essentially as an isothermal
backmix reactor (CSTR). What can you
deduce about the apparent order of the
reaction over the temperature range
studied?
• The plot gives the fractional
decomposition of NO2 fed versus the ratio
of reactor volume V (in cm3 ) to the NO2
feed rate, FN02,0, ,(g mol/h), at different feed
concentrations of NO2 (in parts per million 2
by welght.
CRE1 flashback
Reaction rate
Power
-rA or –r’A
Chapter 1 Rate laws
Analyze data
Batch
Reactor
Equation
𝑝 𝑞 𝑟
𝐶 𝐶 𝐶
Tubular (
−𝑟 𝐴 =𝑘 𝐴 𝐶 ∝𝐴 𝐶 𝛽𝐵 𝐶𝐶𝛾 … − 𝑃 𝑄 𝑅
𝐾𝐶 )
𝑑𝑁𝑖
Packed/fixed bed 𝐹𝑖 0 − 𝐹 𝑖+ 𝑟 𝑖 𝑉 = 3
Hollow 𝑑𝑡
Mole Balance of
Reactive Unit
• GENERAL
dN j
Fj 0 Fj rjV
dt Batch?
• Stirred Tank Reactor (STR)
dN A
FA0 FA rAV
dt Continuous (CSTR)?
• Tubular Reactor
Plug Flow?
dN A
FA V FA V V rA V
dt
Packed-Bed?
4
Chapter 2
Conversion
and
Reactor Sizing
5
Objectives
6
Conversions
Definition
7
Conversions
Consider reaction
aA + bB → cC + dD
Thus, b c d
A B C D
a a a
So,
Conversion of A is Constant
volume only
moles of A reacted N A0 N A FA0 FA C A0 C A
XA
moles of A fed N A0 FA0 C A0
8
Design Equations
9
Design Equations:
Batch System
• To design a batch reactor that produce
conversion a certain
of A in desired length of time,
From moles balances equation for batch system is
rAV = dNA/dt
Knowing that N A N A 0 N A0 X
Thus, d N A0 N A0 X dX
rAV N A0
dt dt
dX
rAV N A0
dt
If, V constant, V=V0,
Design Equations:
Batch System
• Batch
reactor design is based on the time
desired to get a certain conversion
• The volume of the reactor would be based
on the number of moles and initial
concentration, V=NA0/CA0
11
Design Equations:
Flow System
• For continuous system, time is proportional with volume.
Thus, conversion for flow system is a function of volume, V
Fjo
FA = FA0 - FA0X
= FA0 (1-X)
Fj
where
FA = molar flow rate of A leaves system
FA0 = molar flow rate of A fed to the system
X = conversion of A
12
Design Equations:
Flow System
• For CSTR , mole balance is:
V= (FA – FAo)/rj
Knowing that
FA = FA0 - FA0X
Thus,
FA0 FA FA0 FA0 FA0 X
V
rA rA
FA0 X
V
rA exit 13
Design Equations:
Flow System
• For PFR, mole balance of A is ∆V
Fjo Fj
dFA/dV = rA ∆Gj
• For flow system; FA= FA0 –FA0X
• Differentiating; dFA = -FA0dX dFA
• Substitute into PFR’s mole balance; rA
dV
dX
FA0 rA
dV
X
dX
V FA0
0
rA
14
Design Equations:
Flow System
• For PBR, mole balance of A is W ∆W W + ∆W
Fjo Fj
dFA/dW = r’A Gj
• For flow system; FA= FA0 –FA0X
• Differentiating; dFA = -FA0dX
dFA
• Substitute into PBR’s mole balance; rA
dX dW
FA0 r ' A
dW
• In the absence of pressure drop, ∆P=0, we can integrate
it into; X
dX
W FA0
0
rA 15
Summary
dN A V
rAV
Batch dt
Limiting reactant
Nj 𝑋
dNA 𝑁 𝐴 0 𝑑𝑋
t X= 𝑡 =∫
𝑉 ( −𝑟 𝐴 )
NAO
(rA )V 0
r A' W dFA =−
PBR
dW F (rA' ) 𝑑𝑊 𝐹 𝐴0
𝑋
𝑑𝑋
16
AO
𝑊 =∫ 𝐹 𝐴 0
0 − 𝑟 𝐴′❑
Design
Applications
17
Applications
18
Applications
X
FA0 X FA0
VCSTR VPFR dX
rA 0
rA
CSTR PFR
FA0 FA0
(rA ) (rA )
X X 19
• Irreversible reaction
1
As X1,-rA0, thus, ∞ therefore
rA
V∞
• Reversible reaction
The max conversion is the equilibrium
conversion, Xe.
As XXe,-rA0, thus, 1 ∞ therefore
rA
V∞
20
Reactor in Series
FAO
X1 X2
1 FA1 FA2
2
CSTR
PFR
X3
3
FA3
CSTR
Moles of A reacted up to reactor n
Xn
Moles of A feed to first r eactor
800 dX
600 X1
rA
400
V2
200
V1
FAO X 2 X 1
V2
0
0 X1 0.3 0.4 0.5 0.6
0.1 0.2 X2 0.7 0.8 0.85
X3
rA 2
FAO X 3 X 2
Conversion, X
V3
rA3
22
PFR in Series
FAO FA1
FA2
X=0
X=X2 FA3; X=X3
X=X1
27
Space Time and
Space Velocity
• The conversion of reactants in a chemical reactor is
directly related to the time that the chemical species
spend in the reactor.
30
Summary
Differential Algebraic Equation Integral
Equation Equation
Batch
dX X
dX
N A0 rA V t N A0
dt - rA V
0
CSTR
FA0 X out X in
V
(rA ) out
PFR
dX X ou t
dX
FA0 rA V FA0 - rA
dV X in
PBR Xout
dX dX
FA0
dW
rA' W FA0 X - rA'
in
31
Example
32
Example 1: Sizing PFR
35
Example 3: Reactor in
series
-rA (kmol/m3.h) 39 53 59 38 25
The End
37