Chemical Reactor Engineering

LECTURE 2: STOICHIOMETRY AND EXTENT OF REACTION

ChE 125: Chemical Engineering Reactor Design I

2nd Semester AY 2016 - 2017
 aA + bB cC + dD

A&B reactant species

C&D product species

 aA + bB cC + dD

CHEMICAL SPECIES
any chemical compound with a given identity
Identity is determined by the kind, number,
and configuration of that species atoms
 aA + bB cC + dD

a b c d
Stoichiometric coefficient ( )
(+) a b reactants

(-) c d products

(0) inerts
 aA + bB cC + dD

a b c d
Stoichiometric coefficient ( )
Sum,

= = + + +

 aA + bB cC + dD

a b c d
Stoichiometric coefficient ( )
Sum,

= = () + () + () + ()

 aA + bB cC + dD

Hence,

+ + = 0

= 0

Consider:
2 + 2 22 (1)
= 2 2 = 1 2 = 2

22 2 2 = 0

+ 0.52 2 (2)

= 1 2 = 0.5 2 = 1

2 0.52 = 0
Consider:
2 + 2 22 (1)

2
= = 1
2 2

+ 0.52 2 (2)
1
= = 1
2 1
Write a chemical reaction in such a way that:

1. The largest species coefficient is one.

+ 0.52 2

2. The smallest coefficient is the smallest

integer.

2 + 2 22
 Extent of Reaction ()
Quantification of the progress of the reaction
Degree of advancement of reaction
Units: moles extent

,
=

 Extent of Reaction ()
The extent of reaction is determined from the
number of moles of any species

, ,
= =

Time dependent, extensive variable

 Extent of Reaction ()
It can be used to calculate the amount of all
species in the in a system.

= +

For the total number of moles (sum of all

amounts of species),

= ,0 +
 Extent of Reaction ()
For multiple, independent reactions,

= ,0 +

= ,0 +

 NOTATION
For batch reactors:
-- use: n, N [mol]

For flow reactors:

-- use: F [mol/time]
EXAMPLE 2.1

A batch reactor contains 4 mol of CO and 1

mol of O2. Calculate the extent of reaction
and the composition of the reactor when
the reaction goes to completion (i.e. mol of
O2 at the end of the reaction is 0 mol)
EXAMPLE 2.2
Ethylene oxide is produced by catalytic oxidation on
a silver catalyst according to the following chemical
reaction:

A gaseous stream consisting of 60% C2H4, 30% O2,

and 10% N2 is fed at a rate of 40 mol/min into a
flow reactor operating at steady state. If the mole
fraction of O2 in the reactor effluent stream is 0.08,
calculate the production rate of ethylene oxide
EXAMPLE 2.3
The following two simultaneous independent
chemical reactions take place in a batch reactor:
+ 0.52 2
+ 0.52

Initially the reactor contains 4 mol of CO, 4 mol

of O2 and 2 mol of C. At the end of operation,
the reactor contains 2 mol of CO and 2 mol of
O2.
EXAMPLE 2.3

Determine the following:

a. Composition of the reactor at the end of

operation
b. The portion of O2 that reacts in each
reaction
SEATWORK 1
The gas phase decomposition reaction of
ethane into ethyne is being investigated in a
constant volume, isothermal batch reactor. The
reactor is charged with 20 mol ethane and the
initial pressure is 2 atm. When the reaction is
stopped, the pressure is 5 atm. Assuming ideal
gas behavior, calculate:

a. The extent of the reaction

b. The partial pressure of the products
 REFERENCES
Mann, U. (2009). Principles of chemical
reactor analysis and design: new tools for
industrial chemical reactor operations.
Hoboken, NJ: Wiley.
Hill Jr., C. G. (1977). An introduction to
chemical engineering kinetics & reactor
design. New York: Wiley.
QUESTIONS?