General Mass Balance Equation (GMBE)

Input + Generation - Output – Consumption

=
Accumulation
Topic 10: Reactive Systems
Consider chemical reaction occurring (e.g., burning of
coal):
C+O2 →CO2

 Stoichiometric equation imposes constraints

 Include Generation
 Include Consumption

Three methods of analysis:

 total
 element (or atom)
 component
Reactive systems
C+O2 →CO2
Total balance:
 Valid on mass only
 Generation & consumption = 0 (you are not creating or
destroying mass)
 Total Mass in=Total Mass out

Element (or Atom) Balance (e.g. balance for C, O):

 Valid on mass or mole
 Generation & consumption = 0 (no nuclear reactions)
Reactive systems C+O2 →CO2
Component Balance (e.g. balance for C, O2, CO2):
 Take into account stoichiometry
 Take into account extent of reaction
 Must be mole
 Generation must be included
 Consumption must be included

 For all three balances Accumulation=0, therefore:

Output = Input + Generation - Consumption

Idea behind “Element (atomic) balance”
O2 (oxygen gas) forms O3 (ozone)

How many molecules of ozone can you make from 15

molecules of oxygen gas?

You don’t even have to write a balanced reaction!

1) How many oxygen atoms to you have? (think of how

many oxygen atoms you have in every molecule of
oxygen gas)

2) From these, how many molecules of ozone can you

make? (think of how many atoms you need for every
ozone molecule)
Reactive Systems - Example 10.1
Methane is burned with oxygen to yield carbon dioxide and
water. The feed contains 20% CH4, 60% O2 and 20% CO2
(by moles). A 90% conversion of the limiting reactant (i.e.
methane) is achieved. Calculate the molar composition of
the product stream using

1. Element (or Atomic) Balances

2. Component Balances

Start by determining information needed for either method

Reactive Systems - Example 10.1
Step One – Balanced equation & schematic diagram
CH4 + 2O2 → CO2 + 2H2O

CO2 ?
20% (mol) CH4 H2O ?
60% (mol) O2 CH4 ?
20% (mol) CO2 90% conversion O2 ?
of CH4
Reactive Systems - Example 10.1
Step Two – select basis, calculate relative composition
Let basis = 100 moles of feed (moles/hour):
Species moles present CO2 ?
CH4 20 20 moles CH4 H2O ?
O2 60 60 moles O2 CH4 ?
20 moles CO2 O2 ?
CO2 20

Step Three – Calculate moles CH4 used

90 % conversion  0.9 x 20 mols = 18 mols CH 4 used

Hence 20 - 18 = 2 mols CH4 unused
 Reactive Systems - Example 10.1
CO2 ?
20 moles CH4 H2O ?
60 moles O2 2 moles
20 moles CO2 CH4
O2 ?

1. Element (atomic) Balance

How many elements are there?
Three: Carbon (C), Hydrogen (H), Oxygen(O)

We will write balances for each of these elements

What do you want to start with? C, H, O
 CO2 ?
20 moles CH4 H2O ?
CH4 + 2O2 → CO2 + 2H2O 60 moles O2 2 moles CH4
20 moles CO2 O2 ?
IN OUT
1. Element Balance
‘C’ Element balance (in moles)
‘C’IN = ‘C’OUT

1 x ‘CH4’IN + 1 x ‘CO2’IN = 1 x ‘CO2’OUT + 1 x ‘CH4’OUT

(1 x 20) + (1 x 20) = (1 x ‘CO2’OUT) + (1 x 2)

 ‘CO2’OUT = 20 + 20 – 2
= 38 mols C, H, O, all
 CO2 ?
20 moles CH4 H2O ?
CH4 + 2O2 → CO2 + 2H2O 60 moles O2 2 moles CH4
20 moles CO2 O2 ?
1. Element Balance IN OUT
‘H’ Element balance (in moles)
‘H’IN = ‘H’OUT

4 x ‘CH4’IN = 2 x ‘H2O’OUT + 4 x ‘CH4’OUT

(4 x 20) = (2 x ‘H2O’OUT) + (4 x 2)
You can get to the same
answer by using the
‘H2O’OUT = (80 – 8)/2
extent of reaction
= 36 mols
C, H, O, all
 CO2 ?
20 moles CH4 H2O ?
CH4 + 2O2 → CO2 + 2H2O 60 moles O2 2 moles CH4
20 moles CO2 O2 ?
1. Element Balance IN OUT
‘O’ Element balance (in moles)
‘O’IN = ‘O’OUT

2 ‘O2’IN + 2 ‘CO2’IN = 2 ‘CO2’OUT + ‘H2O’OUT + 2 ‘O2’OUT

(2 x 60) + (2 x 20) = 2 x‘CO2’OUT + ‘H2O’OUT + 2 x ‘O2’OUT

 160 = 2 x ‘CO2’OUT + ‘H2O’OUT + 2 x ‘O2’OUT

C, H, O, all
1. Element Balances
‘O’ Element balance
160 = 2 x ‘CO2’OUT + ‘H2O’OUT + 2 x ‘O2’OUT
‘C’ Element balance
‘CO2’OUT = 38 mols
‘H’ Element balance
‘H2O’OUT = 36 mols

Substitute the ‘CO2’OUT and ‘H2O’OUT values in the ‘O’

balance:
160 = 2x38 + 36 + 2 x ‘O2’OUT
‘O2’OUT = (160-36-2x38)/2 = 24 mols
 Reactive Systems - Example 10.1

Percentages by
CO2 ?
20 moles CH4 H2O ? moles
60 moles O2 2 moles CH4
20 moles CO2 O2 ?
Mole fractions
IN OUT

Hence ‘CH4’OUT = 2 mols = 2% = 0.02

‘CO2’OUT = 38 mols = 38% =0.38
‘H2O’OUT = 36 mols = 36% =0.36
‘O2’OUT = 24 mols = 24% =0.24
Total = 100 mols

We have to find the molar composition of the product stream

Reactive Systems - Example 10.1

In reactive systems it does not always happen that

total moles IN = total moles OUT.

This depends on the stoichiometry of the reaction

CH4 + 2O2 → CO2 + 2H2O
3 moles → 3 moles
but

C + O2 → CO2
2 moles → 1 mole
Let’s now do the same problem using
component balances
 CO2 ?
Example 10.1 20 moles CH4 H2O ?
60 moles O2 CH4 ?
CH4 + 2O2 → CO2 + 2H2O 20 moles CO2 O2 ?
2. Component balance IN OUT
How many components? Four: CH 4 , O2 , CO2, H2O

(CH4)OUT = (CH4)IN +(CH4)GEN -(CH4)CON

(O2)OUT = (O2)IN + (O2)GEN - (O2)CON

(CO2)OUT = (CO2)IN + (CO2)GEN - (CO2)CON

(H2O)OUT = (H2O)IN + (H2O)GEN - (H2O)CON

Output = Input + Generation - Consumption

 CO2 ?
Example 10.1 20 moles CH4 H2O ?
60 moles O2 CH4 ?
CH4 + 2O2 → CO2 + 2H2O 20 moles CO2 O2 ?
2. Component balance IN OUT
Let a = number of moles of CH4 reacting

(CH4)OUT = (CH4)IN +(CH4)GEN -(CH4)CON

(CH4)OUT = (CH4)IN + 0 -a
(O2)OUT = (O2)IN + (O2)GEN - (O2)CON
(O2)OUT = (O2)IN + 0 - 2a
(CO2)OUT = (CO2)IN + (CO2)GEN - (CO2)CON
(CO2)OUT = (CO2)IN + a - 0
(H2O)OUT = (H2O)IN + (H2O)GEN - (H2O)CON
(H2O)OUT = (H2O)IN + 2a - 0
 CO2 ?
Example 10.1 20 moles CH4 H2O ?
60 moles O2 CH4 ?
20 moles CO2 O2 ?
2. Component balance
IN OUT
Remember 18 mols CH4 used
Hence a = 18 mols
(CH4)OUT = (CH4)IN + 0 -a
(CH4)OUT = 20 + 0 – 18 = 2 mols
(O2)OUT = (O2)IN + 0 - 2a
(O2)OUT = 60 + 0 – (2 x 18) = 24 mols
(CO2)OUT = (CO2)IN + a - 0
(CO2)OUT = 20 + 18 -0 = 38 mols
(H2O)OUT = (H2O)IN + 2a - 0
(H2O)OUT = 0 + (2 x 18) -0 = 36 mols
 Reactive Systems - Example 10.1
2. Component balance

(CH4)OUT = 2 mols = 2% =0.02

(O2)OUT = 24 mols = 24%=0.24
(CO2)OUT = 38 mols = 38%=0.38
(H2O)OUT = 36 mols = 36%=0.36
Total = 100 mols

Same final answer as that found using element balance

We have to find the molar composition of the product stream

Reactive Systems - Example 10.2

C2H4 and O2 are fed into a reactor. In the reactor C2H4 is

oxidised to either C2H4O or CO2. The feed contains 14kg
of C2H4 & 32kg of O2. 67% of C2H4 is converted overall &
yield of C2H4O found to be 0.388kmol/kmol ethylene
feed. Calculate the outlet composition using:

1. Component Balances (valid only on mole)

2. Total Balances (valid only on mass)

3. Element Balances (valid on both mass and mole)

Determine information needed for any method

 Reactive Systems - Example 10.2

Step One – Balanced equations & schematic diagram

C 2 H 4 + ½ O 2 → C2 H 4 O reaction 1
C2H4 + 3O2 → 2CO2 + 2H2O reaction 2

C2H4O ?.
C2H4 =14 kg CO2 ?
H2O ?
Reactor
C2 H 4 ?
O2 =32 kg O2 ?

* Please modify drawing on Page 11 in the notes (one output, not two)
Reactive Systems - Example 10.2

Step Two – Calculate moles of reactants in feed

Molecular weight of C2H4
(C2H4)feed = 14kg/28kg kmol-1 = 0.5 kmol
Molecular weight of O2
(O2)feed = 32 kg/32 kg kmol-1 = 1 kmol

Step Three – Calculate moles of C2H4 used in reactions

67 % conversion = 67/100 x 0.5 kmol

= 0.335 kmol C2H4 used

Hence 0.5 – 0.335 = 0.165 kmol C2H4 unused

Reactive Systems - Example 10.2

C2 H 4 + ½ O 2 → C2 H 4 O reaction 1
C2H4 + 3O2 → 2CO2 + 2H2O reaction 2

Step Four – Calculate C2H4O moles produced from 1

0.388 kmol C2H4O produced per kmol of C2H4 in feed

 0.388 x 0.5 = 0.194 kmol C2H4O produced

Reactive Systems - Example 10.2
C2 H 4 + ½ O2 → C2 H 4 O reaction 1
C2H4 + 3O2 → 2CO2 + 2H2O reaction 2

1. Component balance
Let a1 = number of moles of C2H4 used in reaction 1
Let a2 = number of moles of C2H4 used in reaction 2

(C2H4)OUT = (C2H4)IN - a1 - a2
(O2)OUT = (O2)IN – ½a1 - 3a2
(C2H4O)OUT = (C2H4O)IN + a1
(CO2)OUT = (CO2)IN + 2a2
(H2O)OUT = (H2O)IN + 2a2

But (C2H4O)IN = (CO2)IN = (H2O)IN = 0

Reactive Systems - Example 10.2
C2 H 4 + ½ O 2 → C2 H 4 O reaction 1
C2H4 + 3O2 → 2CO2 + 2H2O reaction 2

1. Component balance
Let a1 = number of moles of C2H4 used in reaction 1
Let a2 = number of moles of C2H4 used in reaction 2

(C2H4)OUT = (C2H4)IN - a1 - a2
(O2)OUT = (O2)IN – ½a1 - 3a2
(C2H4O)OUT = a1
(CO2)OUT = 2a2
(H2O)OUT = 2a2
Reactive Systems - Example 10.2

We’ll substitute the values that we already know:

(C2H4)OUT = (C2H4)IN - a1 - a2
(O2)OUT = (O2)IN – ½a1 - 3a2
(C2H4O)OUT = a1
(CO2)OUT = 2a2
(H2O)OUT = 2a2
Reactive Systems - Example 10.2

(C2H4)OUT = 0.165 kmol

(C2H4)IN = 0.5 kmol
(C2H4O)OUT = 0.194 kmol
(O2)IN = 1 kmol

(C2H4)OUT = (C2H4)IN - a1 - a2
(O2)OUT = (O2)IN – ½a1 - 3a2
(C2H4O)OUT = a1
(CO2)OUT = 2a2
(H2O)OUT = 2a2
Reactive Systems - Example 10.2

(C2H4)OUT = 0.165 kmol

(C2H4)IN = 0.5 kmol
(C2H4O)OUT = 0.194 kmol

0.165 = 0.5 - a1 - a2 [1]

(O2)OUT = 1 – ½a1 - 3a2 [2]
0.194 = a1 [3]
(CO2)OUT = 2a2 [4]
(H2O)OUT = 2a2 [5]
 Reactive Systems - Example 10.2

0.165 = 0.5 - a1 - a2 [1]

(O2)OUT = 1 – ½a1 - 3a2 [2]
0.194 = a1 [3]
(CO2)OUT = 2a2 [4]
(H2O)OUT = 2a2 [5]

From [3]: a1 =0.194 kmol

Sub in [1] and rearrange: a2 =0.5-0.165-0.194=0.141 kmol
Sub in [2]: (O2)OUT = 1-0.194/2-3x0.141=0.480 kmol
Sub in [4]: (CO2)OUT = 2x0.14=0.282 kmol
Sub in [5]: (H2O)OUT = 2x0.14=0.282 kmol
Reactive Systems - Example 10.2

Our results from component balance:

(C2H4)OUT = 0.165 kmol

(O2)OUT = 0.480 kmol

(C2H4O)OUT = 0.194 kmol

(CO2)OUT = 0.282 kmol

(H2O)OUT = 0.282 kmol

 Reactive Systems - Example 10.2

Our results from component balance:

(C2H4)OUT = 0.165 kmol =0.165/1.403 = 0.118 =11.8%

(O2)OUT = 0.480 kmol =0.480/1.403 = 0.342 =34.2%

(C2H4O)OUT = 0.194 kmol =0.194/1.403 = 0.138 =13.8%

(CO2)OUT = 0.282 kmol =0.282/1.403 = 0.201 =20.1%

(H2O)OUT = 0.282 kmol =0.282/1.403 = 0.201 =20.1%

Total = 1.403 kmol

Percentages by
Mole fractions moles

We have to: Calculate the outlet composition

Reactive Systems - Example 10.2

2. Total balance
Use numbers of moles from initial calcs & component
balance

C2H4O produced = 0.194 kmol x 44 kg/kmol = 8.536 kg

Unreacted C2H4 = 0.165 kmol x 28 kg/kmol = 4.62 kg
CO2 produced = 0.282 kmol x 44 kg/kmol = 12.048 kg
H2O produced = 0.282 kmol x 18 kg/kmol = 5.076 kg
Unreacted O2 = 0.480 kmol x 32 kg/kmol = 15.36 kg
Reactive Systems - Example 10.2

2. Total balance

INPUT = (C2H4)IN + (O2)IN

= 14 + 32 = 46 kg

OUTPUT = (C2H4O)OUT + (C2H4)OUT + (CO2)OUT

+ (H2O)OUT + (O2)OUT

= 8.536 + 4.62 + 12.408 + 5.076 + 15.36

= 46 kg

MASS IN = MASS OUT

Mass conservation is obeyed
Reactive Systems - Example 10.2

We will now use element balances

Recap on what we know (from process description and
initial calculations, prior to component balances)

C2H4O = 0.194 kmol.

CO2 ?
C2H4 =0.5 kmol H2O ?
Reactor
C2H4 =0.165 kmol
O2 =1 kmol
O2 ?

How many elements? Three: C, H, O (so three element

balances)
 Reactive Systems - Example 10.2
C2H4O = 0.194
CO2 ?
C2H4 =0.5 H
H22O
O ?= 0.282
Reactor
C2H4 =0.165
O2 =1
3. Element Balance O2 ?
‘H’ Element balance
[ units = kmol]
‘H’IN = ‘H’OUT

4 x ‘C2H4’IN = 4 x ‘C2H4O’OUT + 2 x ‘H2O’OUT + 4 x ‘C2H4’OUT

(4 x 0.5) = (4 x 0.194) + (2 x ‘H2O’OUT) + (4 x 0.165)

 ‘H2O’OUT = (2 - 0.66 - 0.776)/2

= 0.282 kmol
 Reactive Systems - Example 10.2
C2H4O = 0.194.
CO
CO22?= 0.282
C2H4 =0.5 H2O =0.282
Reactor
C2H4 =0.165
3. Element Balance O2 =1
O2 ?
‘C’ Element balance
‘C’IN = ‘C’OUT [ units = kmol]

2 x ‘C2H4’IN = 1 x ‘CO2’OUT + 2 x ‘C2H4O’OUT + 2 x ‘C2H4’OUT

(2 x 0.5) = (1 x ‘CO2’OUT) + (2 x 0.194) + (2 x 0.165)

 ‘CO2’OUT = 1 – 0.388 – 0.33

= 0.282 kmol
 Reactive Systems - Example 10.2
C2H4O = 0.194.
CO2 =0.282
C2H4 =0.5 H2O = 0.282
Reactor
3. Element Balance C2H4 =0.165
O2 =1
O
O22 ?
= 0.480
‘O’ Element balance
‘O’IN = ‘O’OUT [ units = kmol]

2 x ‘O2’IN = 1 x ‘C2H4O’OUT + 1 x ‘H2O’OUT

+ 2 x ‘CO2’OUT + 2 x ‘O2’OUT

(2 x 1) = 0.194 + 0.282 + (2 x 0.282) + 2 x ‘O 2’OUT

 ‘O2’OUT = (2 – 0.194 – 0.564 – 0.282)/2

= 0.480 kmol
Reactive Systems - Example 10.2

3. Element Balance
Hence (C2H4)OUT = 0.165 kmol = 11.8%
(O2)OUT = 0.480 kmol = 34.2%
(C2H4O)OUT = 0.194 kmol = 13.8%
(CO2)OUT = 0.282 kmol = 20.1%
(H2O)OUT = 0.282 kmol = 20.1%
Total = 1.403 kmol
Class activity (page 13) / Homework

In the complete combustion of propane, 27 kg of the

fuel are reacted with 100 kg of oxygen. Given that 80%
of the propane reacts, use element balances to
determine the molar composition of the output stream.
Reactive Systems – p.13
Step One – Balanced equation & schematic diagram
C3H8 + 5O2 → 3CO2 + 4H2O

C3H 8 ?
27 kg C3H8 CO2 ?
Reactor
100 kg O2 H2O ?

O2 ?
Reactive Systems - p.13
Step Two – calculate known quantities
27 kg C3H8 = 27 kg x 1 = 0.614 kmol
44 kg kmol-1

100 kg O2 = 100 kg x 1 = 3.125 kmol

32 kg kmol-1

Step Three – Calculate limiting reactant

SPC3H8 = 0.614 mol = 0.614  limiting
1 mol

SPO2 = 3.125 mol = 0.625

5 mol
Reactive Systems - p.13
Step Four – calculate amount of limiting reactant (C 3H8)
reacted

80% of C3H8 (0.614kmol) reacts via complete combustion:

 80 x 0.614 = 0.491 C3H8 kmol reacts

100

 0.614 – 0.491 = 0.123 C3H8 kmol unreacted = ‘C3H8’out

 Reactive Systems - p.13
C3H8=0.123
0.615 C3H8 CO2 ?
3.125 O2 H2O ?
O2 ?
Step Five - Element Balance [units in kmol]
‘C’ Element balance
‘C’IN = ‘C’OUT

3 x ‘C3H8’IN = 3 x ‘C3H8’OUT + 1 x ‘CO2’OUT

(3 x 0.614) = (3 x 0.123) + (1 x ‘CO2’OUT)

 ‘CO2’OUT = 1.473 kmol

 Reactive Systems - p.13
C3H8=0.123
0.615 C3H8 CO2 =1.473
3.125 O2 H2O ?
O2 ?
‘H’ Element balance
[units in kmol]
‘H’IN = ‘H’OUT

8 x ‘C3H8’IN = 8 x ‘C3H8’OUT + 2 x ‘H2O’OUT

(8 x 3.125) = (8 x 0.123) + 2 x ‘H 2O’OUT

 ‘H2O’OUT = 1.964 kmol

Reactive Systems - p.13
C3H8=0.123
0.615 C3H8 CO2 =1.473
H2O =1.964
3.125 O2
O2 ?
‘O’ Element balance [units in kmol]
‘O’IN = ‘O’OUT

2 x ‘O2’IN = 2 x ‘O2’OUT + 1 x ‘H2O’OUT + 2 x ‘CO2’OUT

(2 x 3.125) = 2 x ‘O2’OUT + (1 x 1.964) + (2 x 1.473)

 ‘O2’OUT = 0.670 kmol

Reactive Systems - p.13
Step Seven – calculate final composition in mol%

Hence ‘C3H8’OUT = 0.123 kmol = 2.91%

‘O2’OUT = 0.670 kmol = 15.84%
‘CO2’OUT = 1.473 kmol = 34.82%
‘H2O’OUT = 1.964 kmol = 46.43%
Total = 4.230 kmol