Principles of Chemical Engineering | Dr.

Alnaseri, Hayder Part III

Material Balances on Single Steady-state Process with Chemical engineering

Chemical reaction: in general term, it is converting for a material (so-called reactant) to

create new components (so-called products) with new and different physical and chemical
properties. Therefore, using material balances regardless in what term rather than the mole
basic will not be reasonable.

Ex/

𝐶𝐻4 + 2𝑂2 → 𝐶𝑂2 + 2𝐻2 𝑂

3 𝑚𝑜𝑙𝑒𝑠 ≡ 3 𝑚𝑜𝑙𝑒𝑠

Does that mean is balance? No, Why?

𝐶7 𝐻16 + 11𝑂2 → 7𝐶𝑂2 + 8𝐻2 𝑂

12 𝑚𝑜𝑙𝑒𝑠 ≠ 15 𝑚𝑜𝑙𝑒𝑠

The differences between the molecular weight of materials (reactants and products)

John Dalton, was able to explain much of the experimental results on chemical reactions of the
day by assuming that reactions occurred with fixed ratios of elements. This discovery led to law
of constant proportionality

𝐶7 𝐻16 + 11𝑂2 → 7𝐶𝑂2 + 8𝐻2 𝑂

1 𝐶7 𝐻16 11 𝑂2 1 𝑚𝑚𝑜𝑙𝑒 𝐶7 𝐻16

÷ =
𝑟𝑒𝑎𝑐𝑡𝑖𝑛𝑔 𝑚𝑜𝑙𝑒 𝑟𝑒𝑎𝑐𝑡𝑖𝑛𝑔 𝑚𝑜𝑙𝑒 11 𝑚𝑜𝑙𝑒 𝑂2

11 𝑂2 1 𝐶7 𝐻16 11 𝑚𝑜𝑙𝑒 𝑂2
Or ÷ =
𝑟𝑒𝑎𝑐𝑡𝑖𝑛𝑔 𝑚𝑜𝑙𝑒 𝑟𝑒𝑎𝑐𝑡𝑖𝑛𝑔 𝑚𝑜𝑙𝑒 1 𝑚𝑜𝑙𝑒 𝐶7 𝐻16

Terminology for Reaction Systems

1- Stoichiometric Proportion: two reactants, A and B, are used to be present in

stoichiometric proportion if the ratio (moles A present)/(moles B present) equals the
stoichiometric ratio form the balanced reaction equations

𝟐 𝑆𝑂2 + 𝟏 𝑂2 → 𝟐 𝑆𝑂3

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Principles of Chemical Engineering | Dr. Alnaseri, Hayder Part III

Note: if the chemical equation is equalized so-called stoichiometric equation

Note: all of moles numbers (2, 1, and 2) are stoichiometric coefficients

2- Stoichiometric ratio: the stoichiometric ratio of two molecular species participating

in a reaction is the ratio of their stoichiometric coefficients in the balanced equation

2 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑆𝑂3 𝑔𝑒𝑛𝑒𝑟𝑎𝑡𝑒𝑑 2 𝑙𝑏 − 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑆𝑂2 𝑐𝑜𝑛𝑠𝑢𝑚𝑒𝑑

=
1 𝑚𝑜𝑙𝑒 𝑜𝑓 𝑂2 𝑐𝑜𝑛𝑠𝑢𝑚𝑒𝑑 2 𝑙𝑏 − 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑆𝑂3 𝑔𝑒𝑛𝑒𝑟𝑎𝑡𝑒𝑑

3- Limiting component and excess component: the reactant that would be eliminated
first if a reaction proceeded to completion is called the limiting reactant, and the other
reactants are termed excess reactants

(𝑛𝐴 )𝑓𝑒𝑒𝑑 − (𝑛𝐴 )𝑠𝑡𝑖𝑜𝑐ℎ

𝐹𝑟𝑎𝑐𝑡𝑖𝑜𝑛 𝑒𝑥𝑐𝑒𝑠𝑠 𝑜𝑓 𝐴 =
(𝑛𝐴 )𝑠𝑡𝑖𝑜𝑐ℎ

(𝑛𝐴 )𝑓𝑒𝑒𝑑 − (𝑛𝐴 )𝑠𝑡𝑖𝑜𝑐ℎ

𝑃𝑒𝑟𝑐𝑒𝑛𝑡𝑎𝑔𝑒 𝑒𝑥𝑐𝑒𝑠𝑠 𝑜𝑓 𝐴 = × 100%
(𝑛𝐴 )𝑠𝑡𝑖𝑜𝑐ℎ

Ex/

2𝐻2 + 𝐶2 𝐻2 → 𝐶2 𝐻6

If acetylene feed 20.0 kmol/h, and hydrogen feed 50.0 kmol/h. Find, which reactant is excess,
and how much is the excess percentage

2 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝐻2
Stoichiometric ratio of 𝐻2 = =2
1 𝑚𝑜𝑙𝑒 𝑜𝑓 𝐶2 𝐻2

50 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝐻2
Feed ratio of 𝐻2 = = 2.5
20 𝑚𝑜𝑙𝑒 𝑜𝑓 𝐶2 𝐻2

feed ratio > stoichiometric ratio

Hence, 𝐻2 is excess

(𝑛𝐴 )𝑓𝑒𝑒𝑑 − (𝑛𝐴 )𝑠𝑡𝑖𝑜𝑐ℎ

𝑃𝑒𝑟𝑐𝑒𝑛𝑡𝑎𝑔𝑒 𝑒𝑥𝑐𝑒𝑠𝑠 𝑜𝑓 𝐴 = × 100%
(𝑛𝐴 )𝑠𝑡𝑖𝑜𝑐ℎ

(𝑛𝐴 )𝑓𝑒𝑒𝑑 = 50 kmol/h

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Principles of Chemical Engineering | Dr. Alnaseri, Hayder Part III

(𝑛𝐴 )𝑠𝑡𝑖𝑜𝑐ℎ = from stoichiometric equation = 40 kmol/h

Then,

50 − 40
𝑃𝑒𝑟𝑐𝑒𝑛𝑡𝑎𝑔𝑒 𝑒𝑥𝑐𝑒𝑠𝑠 𝑜𝑓 𝐴 = × 100%
40

= 25%

4- Fractional conversion: in such cases, it is not practical to design a reactor for

complete conversion of the limiting reactant, therefore, they used to use the recycle
to the reactor inlet

(𝑛𝐴 )𝑓𝑒𝑒𝑑 − (𝑛𝐴 )𝑢𝑛𝑟𝑒𝑎𝑐𝑡𝑒𝑑

𝐹𝑟𝑎𝑐𝑡𝑖𝑜𝑛𝑎𝑙 𝑐𝑜𝑛𝑣𝑒𝑟𝑠𝑖𝑜𝑛 𝑜𝑓 𝐴 =
(𝑛𝐴 )𝑓𝑒𝑒𝑑

(𝑛𝐴 )𝑓𝑒𝑒𝑑 − (𝑛𝐴 )𝑢𝑛𝑟𝑒𝑎𝑐𝑡𝑒𝑑

𝑃𝑒𝑟𝑐𝑒𝑛𝑡𝑎𝑔𝑒 𝑐𝑜𝑛𝑣𝑒𝑟𝑠𝑖𝑜𝑛 𝑜𝑓 𝐴 = × 100%
(𝑛𝐴 )𝑓𝑒𝑒𝑑

Note: the conversion is corresponded to the limiting reactant

5- Extent of reaction: it is a measure of how far a reaction has proceeded from its initial
state (at time zero for batch and inlet for continuous reactor) to (the endpoint at batch
or the product at the reactor outlet). However, the extent reaction MUST BE having
one value for each reaction regardless in which component based on calculated

𝑛𝑖 − 𝑛𝑖𝑜
𝜉=
𝜈𝑖

𝒏𝒊 = moles of species 𝑖 present in the system after the reaction occurs

𝒏𝒊𝒐 = moles of species 𝑖 present in the system when the reaction starts

𝝂𝒊 = stoichiometric coefficient for species 𝑖 in the specified chemical reaction equation

𝝃= extent of reaction (moles reacting according to the assumed reaction stoichiometry)

Note: the stoichiometry coefficient of product has positive (+) value, while, the stoichiometry
coefficient of reactant has negative (-) value
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Principles of Chemical Engineering | Dr. Alnaseri, Hayder Part III

Ex/

2𝐶𝑂 + 𝑂2 → 2𝐶𝑂2

If 𝐶𝑂 feed + 20.0 kmol/h, calculate the extent of reaction

Hence, from stoichiometric equation we need 10 kmol/h of 𝑂2 to generate 20 kmol/h of 𝐶𝑂2,

then

0−20
𝐸𝑥𝑡𝑒𝑛𝑡 𝑟𝑒𝑎𝑐𝑡𝑖𝑜𝑛 (𝜉) 𝑓𝑜𝑟 𝐶𝑂 = = 10
−2
0−10
𝑓𝑜𝑟 𝑂2 = = 10
−1

0−20
𝑓𝑜𝑟 𝐶𝑂2 = = 10
2

Hence the extent reaction having one value. Therefore, we can calculate the number of the
mole of any component in the reaction by using the extent reaction equation after the
modifying.

𝑛𝑖 = 𝑛𝑖𝑜 + 𝜉 𝜈𝑖

Ex/

The feed to a propylene ammoxidation process contains 10.0 mole %, 12.0% ammonia, and
78% air. A fractional conversion of 30.0% of the limiting reactant is achieved, taking 100
moles of feed as a basis, determine which reactant is limiting, the percentage by which each
of the other reactions is in excess, and the molar amounts of all product gas constituents for
a 30% conversion of the limiting reactant

Feed = 100 mole P=?

Reactor
𝑥𝑝𝐹 = 0.1 𝑛𝐶3 𝐻6 =?
𝑥𝑎𝐹 = 0.12 𝑛𝑁𝐻3 =?
𝐹
𝑥𝑎𝑖𝑟 = 0.78 𝑛𝑂2 =?
𝑛𝑁2 =?
𝑛𝐶3 𝐻3 𝑁 =?
𝑛𝐻2 𝑂 =?

𝐶3 𝐻6 + 𝑁𝐻3 + 3⁄2 𝑂2 → 𝐶3 𝐻3 𝑁 + 3𝐻2 𝑂

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Basis: 100 moles of feed

The feed contains:

(𝑛𝐶3 𝐻6 )𝑜 = 10.0 𝑚𝑜𝑙𝑒𝑠

(𝑛𝑁𝐻3 )𝑜 = 12 𝑚𝑜𝑙𝑒𝑠

(𝑛𝑎𝑖𝑟 )𝑜 = 78 𝑚𝑜𝑙𝑒𝑠

78 𝑚𝑜𝑙𝑒 0.21 𝑚𝑜𝑙 𝑜𝑓 𝑂2

(𝑛𝑂2 )𝑜 = | = 16.4 𝑚𝑜𝑙 𝑜𝑓 𝑂2
𝑚𝑜𝑙 𝑜𝑓 𝑎𝑖𝑟

(𝑛𝑁𝐻3 )𝑜 12
= 10 = 1.2
(𝑛𝐶3 𝐻6 )𝑜
𝑁𝐻3 𝑖𝑠 𝑖𝑛 𝑒𝑥𝑐𝑒𝑠𝑠 𝑜𝑓 𝐶3 𝐻6 (1.2 > 1.0) { (𝑛
𝑁𝐻3 )𝑠𝑡𝑜𝑖𝑐ℎ 1
= 1 = 1.0
(𝑛𝐶3 𝐻6 )𝑠𝑡𝑜𝑖𝑐ℎ

(𝑛𝑂2 )𝑜 16.4
= 10.0 = 1.64
(𝑛𝐶3 𝐻6 )𝑜
𝑂2 𝑖𝑠 𝑖𝑛 𝑒𝑥𝑐𝑒𝑠𝑠 𝑜𝑓 𝐶3 𝐻6 (1.64 > 1.5) { (𝑛𝑂2 )𝑠𝑡𝑜𝑖𝑐ℎ 1.5
= = 1.5
(𝑛𝐶3 𝐻6 )𝑠𝑡𝑜𝑖𝑐ℎ 1

Hence, propylene is the limiting component.

10.0 𝐶3 𝐻6 1 𝑚𝑜𝑙 𝑁𝐻3

(𝑛𝑁𝐻3 )𝑠𝑡𝑜𝑖𝑐ℎ = |1 𝑚𝑜𝑙 𝐶 = 10.0 𝑚𝑜𝑙 𝑁𝐻3
3 𝐻6

10.0 𝐶3 𝐻6 1.5 𝑚𝑜𝑙 𝑂2

(𝑛𝑂2 )𝑠𝑡𝑜𝑖𝑐ℎ = |1 𝑚𝑜𝑙 𝐶 = 15.0 𝑚𝑜𝑙 𝑂2
3 𝐻6

(𝑁𝐻3 )𝑜 − (𝑁𝐻3 )𝑠𝑡𝑜𝑖𝑐ℎ

% 𝑒𝑥𝑐𝑒𝑠𝑠 𝑜𝑓 𝑁𝐻3 = ∗ 100%
(𝑁𝐻3 )𝑠𝑡𝑜𝑖𝑐ℎ

12.0 − 10.0
= = 20% 𝑒𝑥𝑐𝑒𝑠𝑠 𝑁𝐻3
10.0

(𝑂2 )𝑜 − (𝑂2 )𝑠𝑡𝑜𝑖𝑐ℎ

% 𝑒𝑥𝑐𝑒𝑠𝑠 𝑜𝑓 𝑂2 = ∗ 100%
(𝑂2 )𝑠𝑡𝑜𝑖𝑐ℎ

16.4 − 15.0
= ∗ 100%
15.0

= 9.3% 𝑒𝑥𝑐𝑒𝑠𝑠 𝑜𝑓 𝑂2

Since the fraction conversion of limiting species is 0.3 of 𝐶3 𝐻6

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Principles of Chemical Engineering | Dr. Alnaseri, Hayder Part III

(𝑛𝐶3𝐻6 )𝑜𝑢𝑡 = 0.7 ∗ 10 = 7 𝑚𝑜𝑙 𝑜𝑓 𝐶3 𝐻6

(𝑛𝐶3𝐻6 )𝑜 = 10 𝑚𝑜𝑙 𝑜𝑓 𝐶3 𝐻6

7 − 10
𝜉= = 3.0
−1

𝑛𝐶3 𝐻3 𝑁 = 𝜈𝐶3 𝐻6 𝑁 ∗ 𝜉 = 3.00 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝐶3 𝐻3 𝑁

𝑛𝑁𝐻3 = 12.0 𝑚𝑜𝑙 𝑁𝐻3 + 𝜈𝑁𝐻3 𝜉 = 9.0 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑁𝐻3
𝑛𝑂2 = 16.0 𝑚𝑜𝑙 𝑂2 + 𝜈𝑂2 ∗ 𝜉 = 11.9 𝑚𝑜𝑙 𝑂2
𝑛𝑁2 = 61.6 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑁2
𝑛𝐻2 𝑂 = 9.0 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝐻2 𝑂

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