CHEMICAL EQUATION

AND STOICHIOMETRY

CHEMICAL EQUATION AND

STOICHIOMETRY
C7H16 + 11 O2 7 CO2 + 8 H2O
C7H16

O2

CO2

H 2O

1 MOLE

11 MOLES

7 MOLES

8 MOLES

10 kg

30.8 kg

Use of chemical equation

In the combustion of heptane, CO2 is
produced. Assume that you want to
produce 500 kg of dry ice per hour and
that 50% of the CO2 can be converted
into dry ice.
How many kilograms of heptane must be
burned per hour?

Use of chemical equation

CO2 gas (50%) + Other products

Heptane gas
Oxygen

Reactor

CO2 solid (dry ice), 50%

500 kg/hr

Use of chemical equation

Basis:
500 kg of dry ice (equivalent to 1 hr production)
MW heptane = 100.1

C7H16 + 11 O2 7 CO2 + 8 H2O

Spreadsheet approach
Compo

Heptane

Oxygen

nent

gas

gas

kg
C7H16

kg

mole
324.92 3.246

O2

kg
mole
35.706

Reaction
c
-1

kg
mole
-3.246

22.73

H2O

25.97

324.92

1142.59

kg

kg

Other
kg

mole

kg
mole

-11 -35.706

CO2

Total

Dry ice

500 11.36

500

11.36

467.5 25.97
500

967.5

Limiting & Excess Reactant

Limiting reactant
The reactant that is present or given in
the smallest stoichiometric amount

Excess reactant
A reactant that is present or given in
excess of the limiting reactant

Limiting & Excess Reactant

A

+2 B

2 moles

3 moles

2/1 = 2

3/2 = 1.5

Excess

Limiting

=3 C

+4 D

Limiting & Excess Reactant

A

+2 B

2 moles

4 moles

2/1 = 2

4/2 = 2

stoichiome stoichiome
tric
tric

=3 C

+4 D

Conversion, Selectivity, Yield

Conversion
The fraction of the feed or some key
material in the feed that is converted
into products

Selectivity
The ratio of the moles of a particular
(usually the desired) product produced
to the moles of another (usually
undesired) product produced

Conversion, Selectivity, Yield

Yield
The weight or moles of final product
divided by weight or moles of initial or
key reactant

Conversion, Selectivity, Yield

Example
In a combustion of 100 kg of heptane, only
150 kg of CO2 formed. What is the
conversion and yield?
Basis: 100 kg heptane
C7H16 + 11 O2 7 CO2 + 8 H2O

Heptane fed = 100/100.1 = 0.999 kg mole

CO2 formed = 150/44 = 3.41 kg mole
heptane reacted = 1/7 * 3.41 = 0.487 kg mole
conversion = 0.487/0.999 * 100% = 48.76%

Conversion, Selectivity, Yield

Example
Methanol can be converted into ethylene
(C2H4) or propylene (C3H6)
2 CH3OH C2H4 + 2 H2O
3 CH3OH C3H6 + 3 H2O
At 80% conversion of methanol yield obtained
yC2H4 0.19
yC3H8 0.08
Selectivity = 0.19/0.08 = 2.4 mol C 2H4/mol
C3H8

Exercise
A well known reaction to generate hydrogen from
steam is the so called water gas shift reaction:
CO + H2O CO2 + H2
If the gaseous feed to a reactor consists of 30
moles of CO, 12 moles of CO2, and 35 moles of
steam per hour at 800C, and 18 moles of H2 are
produced per hour, calculate
The limiting reactant
to H2
The excess reactant
of steam

- The conversion of steam

- The kg of H2 yielded / kg

CO + H2O CO2 + H2
Feed gas
30 moles of CO,
12 moles of CO2

Reactor

Steam

35 moles

Product gas
18 moles of H2

CO + H2O CO2 + H2

CO

H2O

CO2

H2

30 moles

35 moles

12 moles

18 moles

30

35

12

18

Limiting

Excess

Example
Barite mineral (BaSO4) is processed by heat
fusion with soda ash (Na2CO3) followed by
leaching with water to produce BaCO3. The
overall reaction is
Na2CO3 + BaSO4 Na2SO4 + BaCO3
MW

106

233

142

197

The after leaching analysis shows: residue,

33.6% BaSO4 and 66.4% BaCO3; and soluble
salts, 58.1% Na2SO4 and 41.9% Na2CO3.

Objectives
Calculate:

The composition of the mix before fusion

The percent excess reactant
The degree of completion

Processing steps
BaSO4

Na2CO3

Fusion

Water

Leaching

Residue

Solution

After leaching analysis

Residue

Soluble salts

BaSO4

BaCO3

Na2CO3

Na2SO4

1
33.6%w

1
66.4%w

1
58.1%w

1
41.9%w

Problem encountered
Stoichiometry of a reaction equation is
moles ratio

Weight % must be converted to

moles %

Problem encountered
Converting weight % to mole %
Residue and soluble salts need separate
basis
What is the appropriate basis for each?

Moles?
Mass?
What number?

% w to % mole conversion

Balancing