Balances On Reactive Processes

KNC 1503 Mass Balance
Nur Amalina Shairah Binti Abdul Samat

Department Of Chemical Engineering And Energy Sustainability
Faculty Of Engineering
Universiti Malaysia Sarawak (UNIMAS)
2020/2021 KNC 1503 MASS BALANCE 1

Chapter 4.7: Balances on Reactive Processes
MAIN REFERENCE:
ELEMENTARY PRINCIPLES OF CHEMICAL PROCESSES (3RD EDITION)
RICHARD M. FELDER & RONALD W. ROUSSEAU; JOHN WILEY & SONS, 2005

Lesson Objectives and Outcomes
At the end of this lesson, students should be able to:
1. Perform mass balances on reactive processes via three methods;
molecular species, atomic species and extent of reaction.
2. Perform degrees of freedom analysis on reactive processes.
3. Perform mass balances on reactive systems with product separation
and recycle.
CO2 : Solve chemical engineering problems using mass balance concept.

Balances on Reactive Processes
 Example:
Methane is burned with air in a continuous steady-state combustion reactor to
yield a mixture of carbon monoxide, carbon dioxide, and water. The reactions
taking place are
• Reactor Feed = 7.80 mole% CH4, 19.4% O2, and 72.8% N2.
• % conversion of methane = 90%
• Product Gas contains 8 mol CO2/mol CO
Carry out a degree-of-freedom analysis on the process. Then calculate the
molar composition of the product stream using molecular species balances,
atomic species balances, and extents of reaction.

The analysis can be based on any of the three solution methods:

 Molecular species balances
 Atomic species balances
 Extents of reaction

DOF Analysis
1) Molecular Species Balance
5
2
6 (CH4, O2, N2, CO, CO2, H2O)
1 (specified methane conversion)
0
2) Atomic Species Balance

5
3 (C, H, O)
1 (N2)
0

DOF Analysis
3) Extent of Reaction
5
2
5 (CH4, O2, CO, CO2, H2O)
1 (N2)
0
Degrees of Freedom = 0  solvable

 𝑛𝐶𝐻4 :
 90% 𝐶𝐻4 conversion  10% remains unconverted

 𝑛𝐶𝐻4 = 0.01 × 0.078 𝑚𝑜𝑙 𝐶𝐻4 /𝑚𝑜𝑙 × 100 𝑚𝑜𝑙 = 0.78 𝑚𝑜𝑙 𝐶𝐻4
 𝑛𝑁2 :
 𝑁2 is nonreactive, hence input = output

 𝑛𝑁2 = 0.728 𝑚𝑜𝑙 𝑁2 /𝑚𝑜𝑙 × 100 𝑚𝑜𝑙 = 72.8 𝑚𝑜𝑙 𝑁2

Method 1: Molecular species balance
 𝑛𝐶𝑂 : Input + Generation = Output + Consumption
 𝐶𝑂 Balance: output = generation
 𝑛𝐶𝑂 =
 𝑛𝐶𝑂2 : Input + Generation = Output + Consumption
 𝐶𝑂2 Balance: output = generation

 𝑛𝐶𝑂2 = 8𝑛𝐶𝑂 =

 𝑛𝐶𝐻4 : Input + Generation = Output + Consumption
 𝐶𝐻4 Balance: input = output + consumption

 𝑛𝐶𝑂 , 𝑛𝐶𝑂2 =

 𝑛𝐻2 𝑂 : Input + Generation = Output + Consumption
 𝐻2 𝑂 Balance: output = generation

 𝑛𝐻2 𝑂 =

 𝑛𝑂2 : Input + Generation = Output + Consumption
 𝑂2 Balance: output = input - consumption

 𝑛𝑂2 =

 Summary of stack gas:
 0.78 mol 𝐶𝐻4 (0.78%)
 0.78 mol 𝐶𝑂 (0.78%)
 6.24 mol 𝐶𝑂2 (6.2%)
 14.0 mol 𝐻2 𝑂 (14.0%)
 5.75 mol 𝑂2 (5.7%)
 72.8 mol 𝑁2 (72.5%)

Method 2: Atomic species balance
 𝑛𝐶𝑂 :
 𝐶 Balance
 𝑛𝐶𝑂 =
 𝑛𝐶𝑂2 :
 𝑛𝐶𝑂2 = 8𝑛𝐶𝑂 =

Method 2: Atomic species balance
 𝑛𝐻2 𝑂 :
 𝐻 Balance
 𝑛𝐻2 𝑂 =
 𝑛𝑂2 :
 𝑂 Balance
 𝑛𝑂2 =

Method 3: Extents of Reaction
 𝑛𝐶𝐻4 = 𝑛𝐶𝐻4.𝑜 − 𝜉1 − 𝜉2  0.78 𝑚𝑜𝑙 = 7.8 𝑚𝑜𝑙 − 𝜉1 − 𝜉2  𝜉1 + 𝜉2 = 7.02 𝑚𝑜𝑙
 𝑛𝐶𝑂 = 𝜉1
 𝑛𝐶𝑂2 = 8𝑛𝐶𝑂 = 𝜉2
 𝑛𝐻2 𝑂 = 2𝜉1 + 2𝜉2

3 3
 𝑛𝑂2 = 𝑛𝑂2,𝑜 − 𝜉 − 2𝜉2 = 19.4 𝑚𝑜𝑙 − 𝜉 − 2𝜉2
2 1 2 1

Method 3: Extents of Reaction
 𝜉1 + 𝜉2 = 7.02 𝑚𝑜𝑙  𝑛𝐶𝑂 + 8𝑛𝐶𝑂 = 7.02 𝑚𝑜𝑙  𝑛𝐶𝑂 = 0.78 𝑚𝑜𝑙 𝐶𝑂 = 𝜉1
 𝑛𝐶𝑂2 = 8𝑛𝐶𝑂 = 8 × 0.78 𝑚𝑜𝑙 = 6.24 𝑚𝑜𝑙 𝐶𝑂2 = 𝜉2
 𝑛𝐻2 𝑂 = 2𝜉1 + 2𝜉2 = 2 × 0.78 𝑚𝑜𝑙 + 2 × 6.24 𝑚𝑜𝑙 = 14.04 𝑚𝑜𝑙 𝐻2 𝑂

3 3
 𝑛𝑂2 = 𝑛𝑂2,𝑜 − 𝜉1 − 2𝜉2 = 19.4 𝑚𝑜𝑙 − 𝜉1 − 2𝜉2
2 2
3
= 19.4 𝑚𝑜𝑙 − × 0.78 𝑚𝑜𝑙 − 2 × 6.24 𝑚𝑜𝑙
2
= 5.75 𝑚𝑜𝑙 𝑂2

Product Separation and Recycle
 Overall Conversion =
 Single-Pass Conversion =
 For example, consider the following labeled flowchart for a simple chemical
process based on the reaction A  B:
Overall Conversion of A
Single-pass Conversion of A

 Example: Dehydrogenation of Propane
Propane is dehydrogenated to form propylene in a catalytic reactor:
• Overall conversion of propane = 95%

• Reaction products are separated into two streams:
1) Stream 1
- contains H2, C3H6, and 0.555% of the propane that leaves the reactor
- taken off as product
2) Stream 2
- contains the balance of the unreacted propane and 5% of the propylene
in the first stream
- recycled to the reactor

Calculate:
i. the composition of the product,
ii. the ratio (moles recycled)/(mole fresh feed), and
iii. the single-pass conversion.

This time we have multiple units
and a mixing point, therefore, we
can draw a control volume
around each unit, mixing point,
and around the overall process.
i. Product composition = 𝑛6 /(𝑛6 + 𝑛7 + 𝑛8 )

ii. Recycle ratio = (𝑛9 + 𝑛10 )/100 Just need: 𝑛1 , 𝑛3 , 𝑛6 , 𝑛7 , 𝑛8 , 𝑛9 , 𝑛10
iii. Single-pass conversion = (𝑛1 − 𝑛3 )/𝑛1 × 100%

 95% 𝐶3 𝐻8 overall conversion  5% remains unconverted
 𝑛6 = 0.05 × 100 𝑚𝑜𝑙 = 5 𝑚𝑜𝑙 𝐶3 𝐻8
 “…0.555% of propane that leaves the reactor…”
 𝑛6 = 0.00555 × 𝑛3  5 𝑚𝑜𝑙 𝐶3 𝐻8 = 0.00555 × 𝑛3  𝑛3 = 900 𝑚𝑜𝑙 𝐶3 𝐻8
 “… 5% of the propylene in the first stream…”
 𝑛10 = 0.05 × 𝑛7
 𝑛7 :
 Overall 𝐶 Balance
 𝑛7 =

 𝑛8 :
 Overall 𝐻 Balance
 𝑛8 =
 𝑛10 :
 Revisit “… 5% of the propylene in the first stream…”
 𝑛10 = 0.05 × 𝑛7 = 0.05 × 95 𝑚𝑜𝑙 = 4.75 𝑚𝑜𝑙 𝐶3 𝐻6

 𝑛9 :
 Molecular 𝐶3 𝐻8 Balance about separation unit
 𝑛9 =
 𝑛1 :
 Molecular 𝐶3 𝐻8 Balance about mixing point
 𝑛1 =

 Product composition:
 Recycle ratio:
 Single-pass conversion:

 Practice Example 4.7-3 in Richard M. Felder & Ronald W. Rousseau.

Balances On Reactive Processes

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KNC 1503 Mass Balance

Nur Amalina Shairah Binti Abdul Samat

2020/2021 KNC 1503 MASS BALANCE 1

2020/2021 KNC 1503 MASS BALANCE 2

CO2 : Solve chemical engineering problems using mass balance concept.

2020/2021 KNC 1503 MASS BALANCE 3

2020/2021 KNC 1503 MASS BALANCE 4

The analysis can be based on any of the three solution methods:

2020/2021 KNC 1503 MASS BALANCE 5

2) Atomic Species Balance

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Degrees of Freedom = 0  solvable

2020/2021 KNC 1503 MASS BALANCE 7

 90% 𝐶𝐻4 conversion  10% remains unconverted

 𝑁2 is nonreactive, hence input = output

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 𝑛𝐶𝑂2 : Input + Generation = Output + Consumption

 𝐶𝑂2 Balance: output = generation

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 𝐶𝐻4 Balance: input = output + consumption

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 𝐻2 𝑂 Balance: output = generation

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 𝑂2 Balance: output = input - consumption

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 𝑛𝐶𝐻4 = 𝑛𝐶𝐻4.𝑜 − 𝜉1 − 𝜉2  0.78 𝑚𝑜𝑙 = 7.8 𝑚𝑜𝑙 − 𝜉1 − 𝜉2  𝜉1 + 𝜉2 = 7.02 𝑚𝑜𝑙

 𝑛𝐻2 𝑂 = 2𝜉1 + 2𝜉2

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 𝑛𝐻2 𝑂 = 2𝜉1 + 2𝜉2 = 2 × 0.78 𝑚𝑜𝑙 + 2 × 6.24 𝑚𝑜𝑙 = 14.04 𝑚𝑜𝑙 𝐻2 𝑂

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• Overall conversion of propane = 95%

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i. Product composition = 𝑛6 /(𝑛6 + 𝑛7 + 𝑛8 )

iii. Single-pass conversion = (𝑛1 − 𝑛3 )/𝑛1 × 100%

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