Topic 4 Material Balance With Chemical Reaction

Topic 4 - Material Balance with Chemical Reaction
Learning Outcomes
 Analyze a problem statement and organize the solution strategy.
 Perform material balance with chemical reaction.
 Solve problems involving single equipment process, multiple unit process and special process
(recycle, bypass and purging).
Solving Material Balances Problems Involving Reactive Processes
Material balances on processes involving chemical reactions may be solved by applying:

1. Molecular Species Balance – a material balance equation is applied to each chemical
compound appearing in the process.
2. Atomic Species Balance – the balance is applied to each element appearing in the process.
3. Extent of Reaction – expressions for each reactive species is written involving the extent of
reaction.
Molecular and Elemental Balances

For steady-state reactive processes,
Input + Generation = Output + Consumption
The generation and consumption terms in the molecular balance equation is usually obtained
from chemical stoichiometry.
But for an atomic balance, for all cases
Input = Output
Dehydrogenation of Ethane
Consider the dehydrogenation of ethane in a steady-state continuous reactor,
Total Balance: Input = Output
Molecular Species Balance:
𝐶2 𝐻6 : Input – Consumed = Output

𝐶2 𝐻4 : Generated = Output
𝐻2 : Generated = Output
Atomic (Elemental) Species Balance:

C-Balance: Input = Output
H-Balance: Input = Output
Degrees of Freedom of Analysis for Reactive Processes
Molecular Species Balance

+ No. identified/labeled unknowns
+ No. independent chemical reactions
– No. of independent molecular species
– No. other equations relating unknown variables
-------------------------------------------------------------------------
= No. degrees of freedom
Atomic Species Balance

– No. independent atomic species
– No. of independent nonreactive molecular species
-----------------------------------------------------------------------------
Extent of Reaction
+ No. independent chemical reactions
– No. of independent reactive molecular species
– No. of independent nonreactive molecular species
-----------------------------------------------------------------------------
Independent Chemical Reactions, Molecular and Atomic Species
Chemical reaction: A chemical reaction is independent if it cannot be obtained algebraically from

other chemical reactions involved in the same process.
Molecular Species: If two molecular species are in the same ratio to each other wherever they
appear in a process, then these molecular species are not independent.
Atomic Species: If two atomic species occur in the same ration wherever they appear in a process,
balances on those species will not be independent equations.
Independent Chemical Reactions, Molecular and Atomic Species
Consider the following reactions:

A =======> 2B
B =======> C
A =======> 2C
Are these chemical reactions independent?
Consider a continuous process in which a stream of liquid carbon tetrachloride (𝐶𝐶𝑙4 ) is
vaporized into a stream of air.
Molecular Species Analysis

Total: 3 (𝑂2 , 𝑁2 , 𝐶𝐶𝑙4 )
Independent: 2 (𝑂2 𝑜𝑟 𝑁2 , 𝐶𝐶𝑙4 )
Atomic Species Analysis

Total: 4 (O, N, C, Cl)
Independent 2 (O or N, Cl or C)
Example 4-1. Production of Chlorine (Deacon Process)
In the Deacon process for the manufacture of chlorine, 𝐻𝐶𝑙 and 𝑂2 react to form 𝐶𝑙2 and 𝐻2 𝑂.
Sufficient air (21 𝑚𝑜𝑙𝑒% 𝑂2, 79% 𝑁2) is fed to provide 35% excess oxygen and the fractional
conversion of 𝐻𝐶𝑙 is 85%. Determine the amount of air required per mole of 𝐻𝐶𝑙 fed into the
process. Calculate the mole fractions of the product stream components using:
a. molecular species balances
b. atomic species balances
c. extent of reaction
Identify the components of the product stream:

𝐻𝐶𝑙 since not all will be converted (based on fractional conversion)
𝑂2 since it is supplied in excess
𝑁2 it goes with the O2 in air but not consumed during the reaction
𝐶𝑙2 produced during the process
𝐻2 𝑂 produced during the process
To get mole fractions of components in the product stream:
𝒚𝒊 = 𝒏𝒊 /𝒏𝒕
For the identified components:
𝒚𝑯𝑪𝒍 = 𝒏𝟐 /𝒏𝒕
𝒚𝑶 𝟐 = 𝒏𝟑 /𝒏𝒕
𝒚𝑵𝟐 = 𝒏𝟒 /𝒏𝒕
𝒚𝑪𝒍𝟐 = 𝒏𝟓 /𝒏𝒕
𝒚𝑯𝟐 𝑶 = 𝒏𝟔 /𝒏𝒕
𝑤ℎ𝑒𝑟𝑒 𝑛𝑡 = 𝑛2 + 𝑛3 + 𝑛4 + 𝑛5 + 𝑛6
DEGREES OF FREEDOM ANALYSIS: Molecular Balance

Example 4-2. Production of Ethyl Bromide
The reaction between ethylene and hydrogen bromide to form ethyl bromide is carried out in a
𝑐𝑜𝑛𝑡𝑖𝑛𝑢𝑜𝑢𝑠 𝑟𝑒𝑎𝑐𝑡𝑜𝑟.
𝑪𝟐 𝑯𝟒 + 𝑯𝑩𝒓 =====> 𝑪𝟐 𝑯𝟓 𝑩𝒓
The product stream is analyzed and found to contain 51.7 𝑚𝑜𝑙𝑒% 𝐶2 𝐻5 𝐵𝑟 and 17.3% 𝐻𝐵𝑟. The
feed to the reactor contains only ethylene and hydrogen bromide. Calculate the fractional
conversion of the limiting reactant and the percentage by which the other reactant is in excess. If
the molar flow rate of the feed stream is 165 𝑚𝑜𝑙/𝑠, what is the extent of reaction?

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Topic 4 - Material Balance with Chemical Reaction

Solving Material Balances Problems Involving Reactive Processes

Material balances on processes involving chemical reactions may be solved by applying:

Molecular and Elemental Balances

Total Balance: Input = Output

Molecular Species Balance:

𝐶2 𝐻6 : Input – Consumed = Output

Atomic (Elemental) Species Balance:

Degrees of Freedom of Analysis for Reactive Processes

Molecular Species Balance

Atomic Species Balance

Independent Chemical Reactions, Molecular and Atomic Species

Chemical reaction: A chemical reaction is independent if it cannot be obtained algebraically from

Independent Chemical Reactions, Molecular and Atomic Species

Consider the following reactions:

Molecular Species Analysis

Atomic Species Analysis

Example 4-1. Production of Chlorine (Deacon Process)

Identify the components of the product stream:

DEGREES OF FREEDOM ANALYSIS: Molecular Balance

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