CHE 314

Chemical Reaction Engineering

Lecture 5
Stoichiometry, Liquid Systems
(constant volume systems)
Fall 2015

Slides adapted from Foglers PowerPoint slides

Outline:
Recap algorithm to get reaction rate as a
function of conversion
Stoichiometric table for constant volume batch
reactors
Stoichiometric table for flow reactors with
constant volumetric flow rate.

Algorithm
How to find

rA = f ( X )

Step 1: Rate Law

rA = g (Ci )

Step 2: Stoichiometry

Step 3: Combine to get

(Ci ) = h( X )
rA = f ( X )

Stoichiometry
We shall set up Stoichiometric tables using
species A as our basis of calculation (i.e. assume A
is the limiting reactant).
We will use the stoichiometric tables to express the
concentration as a function of conversion.
We will combine Ci = f(X) with the appropriate rate
law to obtain -rA = f(X).

d
b
c
A + B C + D
a
a
a

Batch System Stoichiometric Table (1)

t=t
NA
NB

t=0
NA0
NB0
NC0
ND0
NI0

Batch reactor

NC
ND
NI

d
b
c
A + B C + D
a
a
a

Batch System Stoichiometric Table (2)

Species

Symbol

Initial

Change

Remaining

NA0

-NA0X

NA=NA0(1-X)

NB0=NA0B

-b/aNA0X

NB=NA0(B-b/aX)

NC0=NA0C

+c/aNA0X

NC=NA0(C+c/aX)

ND0=NA0D

+d/aNA0X

ND=NA0(D+d/aX)

Inert

NI0=NA0I

----------

NI=NA0I

NT0

Where:

NT=NT0+NA0X

Ni0
Ci 0V0
Ci 0
yi 0
d c b
i =
=
=
=
and = + 1
N A0 C A0V0 C A0 y A0
a a a

= change in total number of moles per mol A reacted

Batch System Stoichiometric Table (3)

Constant Volume System

If the reaction occurs in the liquid phase

If a gas phase reaction occurs in a rigid (e.g. steel)

batch reactor
Then V = V0
N A 0 (1 X )
NA
= CA 0 (1 X )
=
CA =
V
V0

b
b
NB
NA 0
CB =
=
B X = C A 0 B X

a
a
V0
V

etc.

Batch System rate as a function of X

Suppose rA = k A CA2 CB
Batch (constant volume): V = V0

rA = k AC A0
we have

(1 X ) B X
a

rA = f (X )
1
rA
X

Practice Problem 1 - Batch System

Calculate the equilibrium conversion for gas
phase reaction, Xe .
Consider the following elementary reaction with
KC=20 dm3/mol and CA0=0.2 mol/dm3.
The reaction takes place in a constant volume
batch reactor.

2A B

Flow System Stoichiometric Table (1)

entering
FA0
FB0
FC0
FD0
FI0

Continuous-flow
reactor

Leaving
FA
FB
FC
FD
FI

d
b
c
A + B C + D
a
a
a

Flow System Stoichiometric Table (2)

Species

Symbol

Initial

Change

Remaining

FA0

-FA0X

FA=FA0(1-X)

FB0=FA0B

-b/aFA0X

FB=FA0(B-b/aX)

FC0=FA0C

+c/aFA0X

FC=FA0(C+c/aX)

FD0=FA0D

+d/aFA0X

ND=FA0(D+d/aX)

Inert

FI0=FA0I

----------

FI=FA0I

FT0

Where:

FT=FT0+FA0X

Fi 0
Ci 0 v0
Ci 0
yi 0
d c b
i =
=
=
=
and = + 1
FA0 C A0 v0 C A0 y A0
a a a

= change in total number of moles per mol A reacted

11

Practice Problem 2 - Flow System (liquid)

Calculate the equilibrium conversion and
concentrations for the liquid phase reaction
below .

A+ B C
Consider the following elementary reaction with
KC= 10 dm3/mol and CA0 = CB0 = 2 mol/dm3.
The reaction takes place in a flow reactor.