2 Kinetika Reaksi 2020

2.
CONVERSION AND REACTOR

SIZING
Conversion:
a measure of a reaction's progress toward
completion
Consider the general equation
aA + bB  cC + dD
The basis of calculation is always the limiting

reactant. We will choose A as our basis of
calculation and divide through by the
stoichiometric coefficient to put everything on
the basis of "per mole of A".
The conversion X of species A in a reaction is

equal to the number of moles of A reacted per
mole of A fed, ie
Batch Flow
1
What is the maximum value of conversion?
For irreversible reactions, the maximum value of
conversion, X, is that for complete conversion,
i.e. X=1.0.
For reversible reactions, the maximum value of
conversion, X, is the equilibrium conversion, i.e.
X=Xe.
Batch Reactor Design Equations

General Mole Balance Equation for Batch
Reactor:
dN j
 rjV
dt
For reactant A:
dN A
 rAV
dt
 N A0  N A 
X → N A  N A0 1  X 
N A0
Thus:
d N A0 1  X 
 rAV
dt
dX
N A0  rAV
dt
dX
t  N A0 0X t 
 rAV
For a constant volume batch reactor:
N A0 dX dX
 C A0  rA
V dt dt
2
CSTR Design Equations
General Mole Balance Equation for CSTR:
Fj 0  Fj
V
 rj
For reactant A:
F  FA
V  A0
 rA
FA0  FA  → F X  F  F
X  A0 A0 A
FA 0
Thus:
F X
V  A0
 rA exit
Because the reactor is perfectly mixed, the exit
composition from the reactor is identical to the
composition inside the reactor, and the rate of
reaction is evaluated at the exit conditions.
PFR Design Equations

General Mole Balance Equation for PFR:
dF j
 rj
dV
For reactant A:
dFA
 rA
dV
FA0  FA  → F X  F  F
X  A0 A0 A
FA 0
Thus:
3
d FA0 1  X 
 rA
dV
dX
FA0  rA
dV
Summary:
Reactor Design Equations

Batch dX X t  dX
N A0  rAV tN 
A0 X 0 
dt  rAV
CSTR F  X  X in 
V  A0 out
 rA out
PFR dX
FA0  rA
dV
Reactor Sizing
By sizing a chemical reactor we mean we're
either detering the reactor volume to achieve a
given conversion or determine the conversion
that can be achieved in a given reactor type and
size.
Given -rA as a function of conversion, -rA=f(X),
one can size any type of reactor. We do this by
constructing a Levenspiel plot. Here we plot
either or as a function of X. For vs.
X, the volume of a CSTR and the volume of a
4
PFR can be represented as the shaded areas in
the Levenspiel Plots shown below:
Reactors in Series
Only valid
if there are
no side
streams
Consider a PFR between two CSTRs
5
FAi  FA 0 1  X i 
F X
V1  A 0 1
 rA 1
dX
V2  FA 0 XX 2
1 r
A
FA 2  FA3 FA 0 1  X 2   FA 0 1  X 3 
V3  
 rA 3  rA 3
FA 0 X 3  X 2 

 rA 3
6
Problem 2.3.
The isothermal gas-phase decomposition
reaction A → B + C occurs at temperature of
422.2 K and total presssure of 10 atm (1013
kPa) in a CSTR. The initial charge is an
equimolar mixture of A and inerts. The
volumetric feed, v0 = 6,0 L/s. The experimental
data:
X 0.0 0.1 0.2 0.3 0.4

-rA (mol/L.s) 0.0053 0.0052 0.0050 0.0045 0.0040
X 0.5 0.6 0.7 0.8 0.85
-rA (mol/L.s) 0.0033 0.0025 0.0018 0.00125 0.00100
Calculate the volume necessary to achieve 80%

conversion.
Answer:
V = 554,9 L
7
Problem 2.4.
Repeat Problem 2.3 if the reaction is carried out
in an isothermal PFR.
Answer:
V = 225 L
Problem 2.5.
in two CSTRs in series. Here, 40% conversion is
achieved in the first reactor.
Answer:
V1 = 86,7 L
V2 = 277,4 L
Notice that the sum of the two CTSR reactor

volume (= V1  V2  364 L ) in series is less than
the volume of one CSTR (= 554,9 L).
This case does not hold true for two PFRs

connected in series.
dX dX dX
FA 0 XX 2  FA 0 0X1  FA 0 XX 2
0 r  rA 1 r
A A
8
The more CSTRs connected in series, the total
volume of CSTRs will be getting closer the
volume of one PFR to achieve the same
conversion.
Problem 2.6.
9
in an isothermal PFR and an isothermal CSTR
connected in series. Here, 50% conversion is
achieved in the first reactor.
Answer:
a. Scheme 1: PFR followed by CSTR
V1 = 97 L
V2 = 208 L
V1  V2  305 L
b. Scheme 2: CSTR followed by PFR
V1 = 131,4 L
V2 = 128,5 L
V1  V2  259.9 L
Some definition
1. Relative rate of reaction
Reaction: aA  bB  cC  dD
 rA  rB rC rD
  
a b c d
2. Space Time = holding time = mean
residence time, τ
Definition:
For PFR:
10
If v = v0 (for example, in a liquid phase
reaction):
FA0  FA  C A0 v 0  C A v C A0  C A
X  
FA 0 C A0 v 0 C A0
 dC A
dX 
C A0
dC A
τ  CC A
A0 r
A
3. Space Velocity, SV
v0 1
Definition: SV  
V τ
11

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2.

CONVERSION AND REACTOR

The basis of calculation is always the limiting

The conversion X of species A in a reaction is

Batch Reactor Design Equations

PFR Design Equations

Reactor Design Equations

X 0.0 0.1 0.2 0.3 0.4

Calculate the volume necessary to achieve 80%

Notice that the sum of the two CTSR reactor

This case does not hold true for two PFRs

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