2.

CONVERSION AND REACTOR

SIZING
Objectives:
After completing Chapter 2, you will be able to:
Define conversion and space time.
Write the mole balances in terms of
conversion for a batch reactor, CSTR, and
PFR.
Size reactors either alone or in series once
given the molar flow rate of A, and the rate
of reaction, - rA, as a function of conversion,
X.
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

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:
2

For reactant A:

dN j
rjV
dt

dN A
rAV
dt
N NA
X A0
N A0
N A N A0 1 X

Thus:

d N A 0 1 X
rAV
dt
dX
N A0
rAV
dt
X t dX
t N A0 0
rAV
For a constant volume batch reactor:
N A0 dX
dX
C A0
rA
V dt
dt
CSTR Design Equations
General Mole Balance Equation for CSTR:
Fj 0 Fj
V
rj
For reactant A:
F FA
V A0
rA


FA0 FA
X
FA0

FA0 X FA 0 FA

Thus:

FA 0 X
V
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
F FA
X A0
FA0
FA0 X FA 0 FA
Thus:

d FA0 1 X
rA
dV
dX
FA0
rA
dV
X t dX
V FA 0 0
rA

Summary:
4

Reactor
Batch

Design Equations

dX
X t dX
t N A0 X 0
N A0
rAV
rAV
dt
F X X in
CSTR
V A0 out
rA out
dX
dX
PFR
V FA 0 XXinout
FA0
rA
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
F
F
1
either r or r as a function of X. For r
vs. X, the volume of a CSTR and the volume of
a PFR can be represented as the shaded areas in
the Levenspiel Plots shown below:
A0
A

A0

Numerical Evaluation of Integrals

Simpsons One-Third Rule.

Problem 2.1.
Consider the liquid phase reaction

which is to take place in a PFR. The following

data was obtained in a batch reactor.
X

0.4

0.8

-ra(mol/dm3.s) 0.01 0.008 0.002

If the molar feed of A to the PFR is 2 mol/s,
what PFR volume is necessary to achieve 80%
conversion under identical conditions as those
under which the batch data was obtained?
Problem 2.2.
Repeat Problem 2.1. if the reaction takes place
in a CSTR.
Reactors in Series
Only valid
if there are
no side
streams
Consider a PFR between two CSTRs

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

rA3
rA3
FA 0 X 3 X 2

rA3

Problem 2.3.
Reaksi fase gas: A B + C berlangsung pada
suhu 422.2 K, tekanan total 10 atm (1013 kPa).
Umpan terdiri atas A dan inert dengan
perbandingan mol 1:1 (ekuimolar). Kecepatan
volumetrik umpan, v0 = 6,0 L/s. CSTR
beroperasi secara isotermal. Data percobaan:
X
-rA (mol/L.s)
X
-rA (mol/L.s)

0.0
0.0053
0.5
0.0033

0.1
0.0052
0.6
0.0025

0.2
0.0050
0.7
0.0018

0.3
0.0045
0.8
0.00125

0.4
0.0040
0.85
0.00100

Hitung VCSTR yang dibutuhkan untuk mencapai

X = 80%.
Jawab:
V = 554,9 L
Problem 2.4.
Hitung kembali soal di atas jika reaktor yang
digunakan adalah sebuah PFR isotermal.
Jawab:
V = 225 L
Terlihat bahwa untuk mencapai konversi yang
sama pada kasus ini, VPFR < VCSTR.
Problem 2.5.
Hitung kembali soal di atas jika reaktor yang
digunakan adalah 2 buah CSTR isothermal yang
9

diseri. Konversi keluar reaktor yang pertama

adalah 0,4.
Jawab:
V1 = 86,7 L
V2 = 277,4 L
Total volum yang dibutuhkan = V1 V2 364 L
Jadi, untuk mencapai konversi yang sama, total
volum 2 CSTR yang diseri < total volum 1
CSTR.
Bagaimana jika 2 atau lebih PFR diseri?
Total volum yang dibutuhkan untuk mencapai
konversi tertentu tidak tergantung pada jumlah
PFR yang diseri. Bukti untuk 2 PFR yang diseri:
dX
dX
dX
FA 0 XX 2
FA 0 0X1
FA 0 XX 2
0 r
1 r
rA
A
A

10

Semakin banyak CSTR yang diseri, total volum

CSTR akan makin mendekati volum 1 buah PFR
untuk mencapai konversi yang sama.

Problem 2.6.
Hitung kembali soal di atas jika reaktor yang
digunakan adalah 1 buah PFR isothermal dan 1
buah CSTR isothermal yang diseri. Konversi
keluar reaktor yang pertama adalah 0,5.
Jawab:
a. Skema 1: PFR diikuti CSTR
V1 = 97 L
V2 = 208 L
Total volum yang dibutuhkan = V1 V2 305 L
b.Skema 2: CSTR diikuti PFR
V1 = 131,4 L
V2 = 128,5 L
Total volum yang dibutuhkan =
11

V1 V2 259 .9 L
Beberapa definisi
1.Kecepatan reaksi relatif
Reaksi: aA bB cC dD
rA rB rC rD

a
b
c
d
2.Space Time = holding time = mean
residence time,
Definisi:

V
volum reaktor

v0
kecepa tan alir volumetrik pada titik

masuk reaktor
Contoh: Untuk PFR:
dX
dX
V FA 0 0X t
C A 0 v 0 0X t
rA
rA
V
dX

C A 0 0X t
v0
rA
Jika v = v0 (misal reaksi fase cair):

FA 0 FA C A 0 v 0 C A v C A0 C A

FA 0
dC A
dX
C A0
dC A
CC A
A0 r
A

C A0 v 0

C A0

12

Space time is the time necessary to process one

volume of reactor fluid at the entrance
conditions. This is the time it takes for the
amount of fluid that takes up the entire volume
of the reactor to either completely enter or
completely exit the reactor.
Sample Industrial Space Times
(1) C2H6 C2H4 + H2
PFR
CH3CH2OH + HCH3COOH
(2)
CSTR
CH3CH2COOCH3 + H2O

860C

Pressure Space
atm
Time
2
1s

100C

2h

(3) Catalytic cracking

490C

20

1s<<
400 s

600C

0.2 s

300C

26

4.5 s

50C

20 min

Reaction

Reactor

PBR

C6H5CH2CH3 C6H5CH =
PBR
CH2 + H2
(5) CO + H2O CO2 + H2
PBR
C H + HNO3 C6H5NO2
(6) 6 6
CSTR
+ H2O
(4)

Temperature

3.Space Velocity, SV
v
1
SV 0
V
Definisi:
SV seringkali diukur juga pada kondisi
operasi yang lain. Dua jenis SV yang umum
dipakai di industri adalah:
a. LHSV = Liquid Hourly Space Velocity: v0
diukur pada kondisi cairan bersuhu 60
atau 750F.
b.GHSV = Gas Hourly Space Velocity: v0
diukur pada kondisi STP (suhu dan
tekanan standar, 250C, 1 atm) .
13

Problem 2.7.

1.Which system is most efficient for a

intermediate conversion of (0.3)?
2.Which system is most efficient for a
intermediate conversion of (0.65)?
3.Which system makes the best use of the
reactor volume (i.e., least wasted
volume)?

14