Chapter 3:

Stoichiometry
 Objectives

After completing this chapter, students are be

able to:

• Set up stoichiometric table for batch and flow

system, for constant or variable density of
material (liquid or gas)
Stoichiometry
 Useful Definitions
b c d
Reaction: A B C D
a a a
1. Parameter 
N i 0 Ci 0 y
i    i0
N A0 C A0 y A0

2. Net mole change for the reaction

d c b
   1
a a a

3. Relationship between ‘δ’ and initial mole fraction of A

Change in total number of moles when complete conversion of A is attained

Total number of moles of all species fed to the reactor
N AO NT N    X  N A0
   y A0    T0  1   X
NTO N TO NT 0
 Batch System

Reaction: b c d
A B C D
a a a

Stoichiometric Table for a Batch System

Species Symbol Initial Change Remaining Concen-
trations
A A NAO -NAOX NA=NAO(1-X)
B B NBO=NAOB -b/a NAOX NB=NAOB-b/a NAOX ?
C C NCO=NAOC c/a NAOX NC=NAOC+c/a NAOX
D D NDO=NAOD d/a NAOX ND=NAOD +d/a NAOX
Inert I NIO=NAOI - NI=NAOI
NTO NT=NTO + NAOX
 Constant Volume
Batch System
• With a condition that reaction occurred in liquid form or gas
phase that occurred in rigid (e.g. steel) batch reactor, V=Vo
N A N AO (1  X )
CA    C AO (1  X )
V VO
b
N AO ( B  X )
N a b
CB  B   C AO ( B  X )
V VO a

Stoichiometric Table for a Constant Volume Batch System

…… Remaining Concentrations
....... NA=NAO(1-X) CA=CAO(1-X)
....... NB=NAOB-b/a NAOX CB=CAO((B-b/a*X)
…… NC=NAOC+c/a NAOX CC=CAO(C+c/a*X)
....... ND=NAOD +d/a NAOX CD=CAO(D +d/a*X)
....... NI=NAOI CI=CAOI
N =N + N X
 Self Test:

Write the rate law for the elementary liquid phase reaction;
3 A  2 B  4C
solely in terms of conversion(-rA as a function of X). The feed
to the batch reactor is equal molar A and B with CA0 = 2
mol/dm3 and kA= 0.01 (dm3/mol)41/s.
a) Construct stoichiometric table
b) Repeat (a) if the phase of the reaction is gas
c) What is the rate law?
a)  r  kC 3C 2
A A B

b) Liquid phase,V=V0 (no volume change)

 NA NA N AO (1  X )
CA     C AO (1  X )
V VO VO
b
N AO ( B  X)
NB NB a b
CB     C AO ( B  X)
V VO VO a
N BO
B  1
N AO
Species A is the limiting reactant because the feed is equimolar in A and B.

2 4
A B C
3 3
b 2/3 2 2
  ; C B  C AO (1  X)
a 1 3 3
2
 2 
 k  C AO 1  X   C AO (1 
3
 rA X )
 3 
2
 kC AO 1  X  (1 
5 3
 rA X )2
3
 4 5
 dm  1  2mol 
3
2

 rA  0.01 
  3 
1  X  (1  X )
3 2

 mol  s  dm  3
2 2  mol 
 rA  0.321  X  (1  X ) 
3
3 
3  dm .s 
 Variable Volume
Batch System
• Usually involve gas phase reaction, V ≠ V0.
• The reactor volume may be related to initial reactor volume
(V0) and other operating parameters (P0, T0, P, and T)
N T Po T Z
V  Vo ( ) ( )
N TO P To Z o
Po T Z
 Vo (1  X )( ) ( )
P To Z o

For
Ideal Gas

N T Po T
V  Vo ( )
N TO P To
Po T
 Vo (1  X )( )
P To
 Example 3.3

• Considering the stoichiometric table from

example 3.2, if the initial mixture consists
solely of sodium hydroxide at a concentration
of 10 mol/dm3 and the glyceryl stearate at a
concentration of 2 mol/dm3, what is the
concentration of glycerine when the
conversion of sodium hydroxide is
(a) 20 %
(b) 90 %
 Example 3.6

• The reversible gas phase decomposition of nitrogen

tetroxide, N2O4, to nitrogen dioxide, NO2,
N 2O4  2NO2

is to be carried out at constant temperature. The feed

consists of pure N2O4 at 340K and 202.6 kPa. The
concentration equilibrium constant, KC at 340K is 0.1
mol/dm3.

Calculate the equilibrium conversion of N2O4 in a

constant volume batch reactor.
 FAO FA

Flow System
FBO FB
FCO FC
FDO FD
FI FI
Consider reaction where A is a limiting reactant in a flow reactor
with the reaction, b c d
A B C D
a a a
Stoichiometric Table for a Flow System
Species Initial Change Remaining Concen-
trations
A FAO -FAOX FA=FAO(1-X)
B FBO=FAOB -b/a FAOX FB=FAOB-b/aFAOX ?
C FCO=FAOC c/a FAOX FC=FAOC+c/a FAOX
D FDO=FAOD d/a FAOX FD=FAOD +d/a FAOX
Inert FI - FI
FTO FT=FTO + FAOX
FiO y
where i   iO
FAO y AO
 Flow System:
Liquid Phase Reaction
v = vO
• FA=FAO(1-X) • FB=FAOB-b/aFAOX
Since FA=CAv CB=CAO(B-b/a*X)
CAv=CAOvO(1-X)
CA=CAO(1-X)

Stoichiometric Table for a constant volumetric flow rate system

Change Remaining Concentrations
Similar
…… FA=FAO(1-X) CA=CAO(1-X)
with
…… FB=FAOB-b/aFAOX CB=CAO(B-b/a*X) batch
system
…… FC=FAOC+c/a FAOX CC=CAO(C+c/a*X)
…… FD=FAOD +d/a FAOX CD=CAO(D+d/a*X)
…… FI CI
FT=FTO + FAOX
 Flow System:
Gas Phase Reaction
• In a gas phase flow system,
T P0
v  v0 (1  X )
T0 P

• Thus, FA FAO (1  X ) T0 P (1  X ) T0 P
CA    C AO
v vO (1  X ) T P0 (1  X ) T P0
b b
FAO ( B  X ) ( B  X )
F a T0 P a T0 P
CB  B   C AO
v vO (1  X ) T P0 (1  X ) T P0

At constant temperature and pressure, if the rate of reaction was

 rA  kC A2C B1 P
C A0  A 0
RT
3 b
kC AO (1  X ) ( B  X )
2
y B 0 C B 0 FB 0
a    
r A B
y A0 C A0 FA0
(1  X )
3
A liquid phase reaction,

A+B P −𝑟𝐴 = 1.5 × 102 𝐶𝐴0.9 𝐶𝑃0.5 , mol/L.s

is carried out in a continuous flow reactor system at 80 ⁰C. The feed consists of A, B and P at
a molar ratio of A/B/P = 1/10/0.07. The initial concentration of A, CA0 = 300 mol/L and the
total volumetric flow rate, v0 = 0.5 L/s.

a) To produce 85.5 mol/s of P (FP), a chemical engineer proposed to design a PFR

claiming that the plug flow reactor (PFR) would be more efficient in terms of volume
than a continuous stirred tank reactor (CSTR) working under same conditions. Verify
the claim.
(10 Marks)
The End