Department of Chemical Engineering

University of Cape Town • Rondebosch 7701 - South Africa

CHE2005W: Block 3
Mass and Energy
Balances with Reaction

Dr Lisa October

Lecture 1:
Mass Balance with
Single Reaction
 Introduction

• Welcome to Block 3
• Course schedule
• Continuation from first year and CHE2005W Block 2
• This course is largely example based, lectures with examples
• Each lecture usually has an example and a lecture summary
• Textbook Himmelblau and Riggs, 8th Edition
• Material on Amathuba/Content: Block 3 – Mass and Energy
Balances with Reaction
• Tutors office hours
• Please reach out, we are here to support you

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 Schedule

Concept Test: 15th April 2024

Class Test: 22nd April 2024

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 Mass Balance with Reaction

Application of the conservation law for mass:

MATTER IS NEITHER CREATED, NOR DESTROYED

General Balance:

INPUT + GENERATION – OUTPUT – CONSUMPTION = ACCUMULATION

If we are dealing with mass (kg) – mass cannot be created or destroyed.

 No Generation and No Consumption
When at steady state – No Accumulation

INPUT – OUTPUT = 0
INPUT = OUTPUT

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 Mass Balance with Reaction

• Deal with mass (and energy) balances around

reacting systems

Moles Change

• How is this different?

No longer work in kg. We work in moles because molecules react with
other molecules

Moles Can be Consumed or Generated

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 Material Balances with Reaction

Create a structure for solving these problems; set it up

such that we can deal with multiple reactions (H&R 3.2)

Strategy for when you get a problem:

1. Draw it (simple block flow diagram)
Extract what is given in text and put it on the drawing, label what is
known and what is unknown.
If told it’s a solid and you are given elemental
2. Label Consistently composition – take that at wt%
- Will need to convert to mol% as reaction will
Mass: m (kg), 𝑚ሶ (kg/s) still be stoichiometric in terms of moles
Volume: V (l), 𝜈ሶ (l/s)
Moles: n (moles), 𝑛ሶ (mols/s)
Mole Fractions: liquid (x), solid (x), gas (y)

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 Material Balances with Reaction

3. Choose a Basis
Choose 1 basis, because everything else is related to that stream
through stoichiometry. Use a stream that is fully specified.

4. Simplify the Balance Equation

Mass, Steady State. Input = Output
Reaction, Steady State --> Input + Generation – Output –
Consumption = 0

5. Check the Stoichiometry (H&R 5.1)

Balance the chemical equations (equations usually given and
balanced but check it).
Stoichiometrically balanced equation determines the relationship
between the species in the equation.

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 Material Balances with Reaction

𝐴+𝐵 →𝐶+𝐷
1 mole of A must react with 1 mole of B. For every mole of A
reacted, 1 mole of C is formed.

Don’t always feed reactants in stoichiometric ratios. Why?

 Put in much more air than
required stoichiometrically to
𝐶𝐻4 + 𝑂2 → 𝐶𝑂2 + 𝐻2 𝑂 ensure that all the CH4 is
combusted. So, we force the
reaction to completion by
Pay for it putting the cheaper reactant
in excess.
Use Air --> free

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 Material Balances with Reaction

𝐴+𝐵 →𝐶+𝐷
Feed 1 moles of A and 2 moles of B

1 mol A
2 mol B

If we have complete conversion of A (that is no A coming out), how many

moles of B comes out?
Stoichiometrically, 1 mole of A requires 1 mole of B, therefore there is
1 mole of B left.
B is in excess, and A is the limiting reagent. A will be consumed
first if the reaction goes to completion.

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 Material Balances with Reaction

• Fractional Excess of B
(𝑛𝐵 )𝑓𝑒𝑒𝑑 −(𝑛𝐵 )𝑠𝑡𝑜𝑖𝑐ℎ
=
(𝑛𝐵 )𝑠𝑡𝑜𝑖𝑐ℎ
2−1
= 1
=1

• % Excess of B
= 𝐹𝑟𝑎𝑐𝑡𝑖𝑜𝑛𝑎𝑙 𝐸𝑥𝑐𝑒𝑠𝑠 𝑥 100
=1 X 100
= 100%

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 Material Balances with Reaction

Reactions do not always go to completion, not all reactants

converted (H&R 5.2.3)
𝑚𝑜𝑙𝑒𝑠 𝑟𝑒𝑎𝑐𝑡𝑒𝑑
• 𝐹𝑟𝑎𝑐𝑡𝑖𝑜𝑛𝑎𝑙 𝐶𝑜𝑛𝑣𝑒𝑟𝑠𝑖𝑜𝑛 (𝑋) =
𝑚𝑜𝑙𝑒𝑠 𝑖𝑛𝑖𝑡𝑖𝑎𝑙
(𝑛𝐵 )𝑖𝑛 −(𝑛𝐵 )𝑜𝑢𝑡
𝑋𝐵 =
(𝑛𝐵 )𝑖𝑛
2 −1
𝑋𝐵 = = 0.5
2
(𝑛𝐴 )𝑖𝑛 −(𝑛𝐴 )𝑜𝑢𝑡
𝑋𝐴 =
(𝑛𝐴 )𝑖𝑛
1 −0
𝑋𝐴 = =1
1

• %𝐶𝑜𝑛𝑣𝑒𝑟𝑠𝑖𝑜𝑛 = 𝑋 𝑥 100

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 Material Balances with Reaction

• Stoichiometric Coefficient (𝜈𝑖 ) H&R 5.1

𝐴 + 2𝐵 → 𝐶 (Balanced) 1 mol A, needs 2 of B
and 1 mol of C is
formed
Stoichiometric Coefficient is defined as negative for reactants
and positive for products.

So, 𝜈𝐴 = −1, 𝜈𝐵 = −2, 𝜈𝐶 = +1

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 Material Balances with Reaction

• Molar Extent of Reaction (𝜉) H&R 5.2.1

𝜉 = how much has reacted (mol, mols/s) Not a fraction or % it
is the actual amount
reacted.
The molar extent of reaction is the same for all species in a
single reaction.

𝑛ሶ 𝑖𝑜𝑢𝑡 = 𝑛ሶ 𝑖𝑖𝑛 + 𝜈𝑖 𝜉

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 Material Balances with Reaction

• Molar Extent of Reaction (𝜉) Example

𝐴 + 2𝐵 → 𝐶
20 mols of A reacts with 50 mols of B; 20 mols of B exits the
reactor.
20 mols of A requires 40 mols of B
𝑛ሶ 𝐵𝑜𝑢𝑡
= 𝑛ሶ 𝐵𝑖𝑛
+ 𝜈𝐵 𝜉 (stoichiometrically), have 50 mols of B. So, B
20 = 50 + −2 𝜉 is in excess, and A is the limiting reagent.
𝜉 = 15

𝑛ሶ 𝐴𝑜𝑢𝑡 = 𝑛ሶ 𝐴𝑖𝑛 + 𝜈𝐴 𝜉 𝑛ሶ 𝐶𝑜𝑢𝑡 = 𝑛ሶ 𝐶𝑖𝑛 + 𝜈𝐶 𝜉

𝑛ሶ 𝐴𝑜𝑢𝑡 = 20 + −1 15 𝑛ሶ 𝐶𝑜𝑢𝑡 = 0 + +1 15
𝑛ሶ 𝐴𝑜𝑢𝑡 = 5 mols 𝑛ሶ 𝐶𝑜𝑢𝑡 = 15 mols

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 Example 1

1. Balance equation

2. Draw your system

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 Example 1

C10H8 C8H4O3
CO2
O2 Reactor
H2O
C10H8
O2

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 Example 1

3. Add given information

C10H8 100 mol/s C8H4O3

CO2 180 mol/s
O2 600 mol/s Reactor
H2O
C10H8
O2

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 Example 1

4. Draw a species table

Species yi
C10H8 100
O2 600
C8H4O3 0
CO2 0 180
H2O 0
Total 700

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 Example 1

We have the moles in and out for CO2

𝑜𝑢𝑡 𝑖𝑛
𝑛ሶ 𝐶𝑂2
= 𝑛ሶ 𝐶𝑂 2
+ 𝜈𝐶𝑂2 𝜉

180 = 0 + +2 𝜉

𝜉 = 90 𝑘𝑚𝑜𝑙/𝑠

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 Example 1

𝑛ሶ 𝐶𝑜𝑢𝑡𝐻
10 8
= 𝑛ሶ 𝑖𝑛
𝐶 𝐻 + 𝜈𝐶10𝐻8 𝜉
10 8

= 100 + −1 90

𝑛ሶ 𝐶𝑜𝑢𝑡𝐻 = 10 kmol/s
10 8

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 Example 1

Species yi
C10H8 100 -1 (90) 10

O2 600 -4.5 (90) 195 0.3

C8H4O3 0 +1 (90) 90 0.14
CO2 0 +2 (90) 180 0.27
H2O 0 +2 (90) 180 0.27
Total 700 655 1

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