3.

1 Balancing a chemical reaction

Learning objectives
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Apply definitions of atoms and moles to balance chemical reactions.
Enoch Tamale
UBCCHBE241BagherzadehFall2023
Chemical reactions

The engineering of systems with chemical reactions distinguishes chemical engineers from other
types of engineers. A chemical reaction converts one or more chemical components into other
chemical components. Ex: When grilling, propane reacts with oxygen to make carbon dioxide and
water. Chemical reactions are governed by many variables including how fast reactions occur and
how far reactions can go. Several common situations provide the extra equations needed to solve the
material and energy balances involving a chemical reaction, which are covered in other sections.

Table 3.1.1: Parts of a chemical reaction.

Term Example

Baking soda and vinegar

A reactant is a component changed by a chemical reaction.
are the reactants when
Reactants normally appear on the left hand side of the
making a foaming
reaction.
volcano.

A product is a component created by a chemical reaction.

Rust, or iron oxide, is the
Products normally appear on the right hand side of the
product when oxygen
reaction. Effluent is another common term for the product
reacts with iron.
stream from a reactor.

A stoichiometric coefficient is the number of moles of each Three moles of water are
component in a reaction. formed in a reaction.

©zyBooks 11/22/23 23:24 1858759

Enoch Tamale
UBCCHBE241BagherzadehFall2023
PARTICIPATION
ACTIVITY
3.1.1: Chemical reactions and stoichiometric coefficients.

Animation captions:

1. A chemical reaction converts reactant A to product B.

 2. Stoichiometric coefficients are the number of moles of each component. The number of
moles of A is a, and the number of moles of B is b.
3. A stoichiometric coefficient can be any positive number, not just an integer. Only 0.5 moles of
oxygen are needed to create water.

PARTICIPATION
ACTIVITY 3.1.2: Chemical reactions.
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Enoch Tamale
UBCCHBE241BagherzadehFall2023
1) The reaction 1 H2 + 0.5 O2 → 1 H2O
has one reactant.
True
False

2) Given the reaction: 1 C + 1 O2 → 1 CO2.

The stoichiometric coefficient of
carbon dioxide is:
1
2

3) The reaction for the combustion of

methanol is: 1 CH4OH + 1.75 O2 → 1
CO2 + 2.5 H2O. The stoichiometric
coefficient of oxygen is 2.5.
True
False

Balancing a chemical reaction

A chemical component contains one or more different atoms, such as carbon, in various ratios. Ex:
Carbon dioxide (CO2) has one carbon to two oxygens while biomass (C3.4H8.9O2.3) has carbon,
hydrogen, and oxygen in different ratios. Moles may not be conserved in a chemical reaction.
However, atoms are always conserved; thus, balancing a chemical reaction involves writing atom
balances for each atom in the reaction.
©zyBooks 11/22/23 23:24 1858759
PARTICIPATION Enoch Tamale
ACTIVITY
3.1.3: Balancing a chemical reaction. UBCCHBE241BagherzadehFall2023

Animation content:

undefined

Animation captions:
 1. Ammonia is synthesized from reacting hydrogen with nitrogen.
2. Balancing the reaction begins by selecting a basis. One mole of a reactant is usually
convenient.
3. Add variables for the unknown stoichiometric coefficients.
4. Two atom balances should be for N and H. An atom balance multiplies the number of moles
of a component by the number of atoms per molecule.
5. The balances should be simplified as units of moles are cancelled.
©zyBooks 11/22/23 23:24 1858759
6. The last steps are to solve the atom balances and to finish balancingEnoch
the reaction.
Tamale
UBCCHBE241BagherzadehFall2023

PARTICIPATION
ACTIVITY
3.1.4: Balancing chemical reactions.

1) A reaction between nitrogen and

hydrogen creates ammonia:
1 N2 + 3 H2 → 2 NH3
The number of hydrogen atoms in the
reactants is the same as the number of
hydrogen atoms in the products.
True
False

2) For the reaction:

1 N2 + 3 H2 → 2 NH3
The simplified nitrogen atom balance
is:
1 mole N2 ∙ 2 atom N per mole N2 = 2
mole NH3 ∙ 3 atom N per mole NH3.
True
False

©zyBooks 11/22/23 23:24 1858759

Enoch Tamale
UBCCHBE241BagherzadehFall2023
3) Three atom balances are needed to balance
the following reaction:
1 C3H8 + a O2 → b CO2 + c H2O
After selecting a basis of 1 mole of propane,
a carbon balance is written as:

3 atom C 1 atom C
1 mol C 3H 8 ⋅ 1 mol C H = b mol CO 2 ⋅ 1 mol CO ©zyBooks 11/22/23 23:24 1858759
3 8 2 Enoch Tamale
UBCCHBE241BagherzadehFall2023
With one unknown in this carbon balance,
the first stoichiometric coefficient can be
found as b = 3. Next, complete the hydrogen
balance:

8 atom H 2 atom H
1 mol C 3H 8 ⋅ 1 mol C H = c mol H 2O ⋅ 1 mol H O
3 8 2

c=?
4
2

4) Now, only the balance for oxygen remains to completely

balance the
reaction:
1 C3H8 + a O2 → 3 CO2 + 4 H2O
The incomplete oxygen balance is:

2 atom O ? 1 atom O
a mol O 2 ⋅ 1 mol O = 3 mol CO 2 ⋅ 1 mol CO + 4 mol H 2O ⋅ 1 mol H O
2 2 2

The ? should be:

2 atom O
2 atom carbon dioxide

CHALLENGE ©zyBooks 11/22/23 23:24 1858759

ACTIVITY
3.1.1: Beginning to balance chemical reactions.
Enoch Tamale
UBCCHBE241BagherzadehFall2023
495688.3717518.qx3zqy7

Common mistake when balancing chemical reactions

 Balancing many chemical reactions is a simple process, and so the atom
balances can be completed quickly by inspection. However, the inspection
process, or doing the balances without writing the atom balances down, leads
to mistakes for many students, such as forgetting that 2 oxygen atoms make
up O2. Thus, writing down all of the atom balances is a good habit and will be
©zyBooks 11/22/23 23:24 1858759
necessary for more difficult reactions as well as situations with multiple
Enoch Tamale
reactions covered in other sections. UBCCHBE241BagherzadehFall2023

PARTICIPATION
ACTIVITY
3.1.5: Biodiesel reaction.

Fatty acid methyl esters are the primary component of biodiesel fuel. The transesterification
of 1 mole of tristearin (C57H110O6) involves reacting with methanol (CH3OH) to produce
stearic acid (C18H36O2) and glycerol (C3H8O3). With a basis of 1 mole of tristearin, the
reaction starts with three unknown stoichiometric coefficients:

1 C57H110O6 + d CH3OH → e C18H36O2 + f C3H8O3

Atom balances for carbon, hydrogen, and oxygen will be solved for the three unknown
stoichiometric coefficients.

Beginning with the carbon balance:

57 atom C 1 atom C 18 atom C

1 mol tristearin ⋅ 1 mol tristearin + d mol methanol ⋅ 1 mol methanol = e mol stearic acid ⋅ 1 mol stearic acid

The hydrogen balance:

110 atom H 4 atom H 36 atom H

1 mol tristearin ⋅ 1 mol tristearin + d mol methanol ⋅ 1 mol methanol = e mol stearic acid ⋅ 1 mol stearic acid
©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
UBCCHBE241BagherzadehFall2023
And finally the oxygen balance:

6 atom O 1 atom O 2 atom O

1 mol tristearin ⋅ 1 mol tristearin + d mol methanol ⋅ 1 mol methanol = e mol stearic acid ⋅ 1 mol stearic acid

Now, the system of three equations with three unknowns can be solved. Computational tools
are available to complete the calculation, but a few steps of algebra will also yield the correct
answers.
As the units were correctly identified above, the simplified versions of the balances are:

C: 57 + d = e ∙ 18 + f ∙ 3

H: 110 + d ∙ 4 = e ∙ 36 + f ∙ 8
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Enoch Tamale
O: 6 + d = e ∙ 2 + f ∙ 3 UBCCHBE241BagherzadehFall2023

One way to solve algebraically is to substitute d from the carbon balance into the other two
balances. Then, a system of 2 equations and 2 unknowns can be solved. Finally, the carbon
balance can be solved for the final unknown, d.

Rearranging the carbon balance: d = e ∙ 18 + f ∙ 3 - 57

Substituting d into the hydrogen balance: 110 + (e ∙ 18 + f ∙ 3 - 57) ∙ 4 = e ∙ 36 + f ∙ 8

Substituting d into the oxygen balance: 6 + (e ∙ 18 + f ∙ 3 - 57) = e ∙ 2 + f ∙ 3

Now, the modified oxygen balance can be solved for e since the f terms cancel. e = 3.19

Inserting e into the modified hydrogen balance gives f. f = 0.79

Finally, d is found from the carbon balance. d = 2.79

The final balanced reaction is:

1 C57H110O6 + 2.79 CH3OH → 3.19 C18H36O2 + 0.79 C3H8O3

1) The number of unknown stoichiometric

coefficients in the carbon balances is:
1
2
3 ©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
2) The number of hydrogen atoms in UBCCHBE241BagherzadehFall2023
stearic acid is:
2
36
8
 3) The number of components containing
oxygen is:
2
4
6

4) Since the carbon balance was ©zyBooks 11/22/23 23:24 1858759

Enoch Tamale
substituted into the hydrogen balance UBCCHBE241BagherzadehFall2023
to solve algebraically, checking the final
answers by plugging the stoichiometric
coefficients into the carbon balance
gives:

57 + 2.79 = _____ + 0.79 ∙ 3

57.4
18
3.19

CHALLENGE
ACTIVITY 3.1.2: Balancing chemical reactions.

495688.3717518.qx3zqy7

fitness_center EXERCISE 3.1.1: Balancing reactions with sugar. help_outline

Sugar comes in many forms. Chemical reactions with sugar are common when making candy
and other desserts. Some reactions of sugar are quite spectacular to watch as in this video.
(a) Find the stoichiometric coefficients a, b, and c for a reaction to create glucose:
a C + b O2 + c H2 → 1 C6H12O6
Solution keyboard_arrow_down
(b) Find the stoichiometric coefficients d and e for the decomposition
©zyBooksof 11/22/23
sucrose:23:24 1858759
1.40 C12H22O11 → d C + e H2O Enoch Tamale
UBCCHBE241BagherzadehFall2023
Solution keyboard_arrow_down
(c) When a gummy bear is reacted with potassium chlorate, the reaction is quite spectacular
(see this video). Find the stoichiometric coefficients f, g, h, and i for the complete reaction:
1 C12.6H22.7O11.3 + f KClO3 → g CO2 + h H2O + i KCl
 Solution keyboard_arrow_down

3.2 Excess and limiting in chemical reactions

©zyBooks 11/22/23 23:24 1858759
Learning objectives Enoch Tamale
UBCCHBE241BagherzadehFall2023

Identify excess and limiting reactants.

Apply definition of fractional excess to problems with chemical reactions.

While the balanced chemical reaction is useful, chemical reactors are rarely fed the exact
stoichiometric ratio of each reactant. A stoichiometric ratio is the ratio of the stoichiometric
coefficient of one component to another. Ex: For the reaction: 1 CH4 + 2 O2 → 1 CO2 + 2 H2O, a
stoichiometric ratio for the reactants would be 1 mole of methane to 2 moles of oxygen. When the
actual ratio of reactants is not equal to the stoichiometric ratio, one component limits the reaction
while the other reactants are in excess. A limiting reactant is the reactant that is totally consumed by
the chemical reaction. An excess reactant is the reactant remaining when a chemical reaction
completely consumes the limiting reactant. When the reactant composition does not match the
stoichiometric ratios, the limiting reactant can be identified using the stoichiometric coefficients from
the balanced reaction as demonstrated below.

PARTICIPATION
ACTIVITY
3.2.1: Finding excess and limiting reactants.

Animation captions:

1. Finding the excess and limiting reactants starts by balancing the chemical reaction.
2. Next, the stoichiometric ratio of the reactants is found.
3. The feed to the reactor contains 5 mol hydrogen and 1 mol nitrogen, so the actual ratio of
reactant is different than the stoichiometric ratio.
4. Ratios are compared to determine excess and limiting reactants. The actual ratio is greater
than stoichiometric ratio, so the component in the numerator is in excess.

©zyBooks 11/22/23
Intentionally feeding an excess of one reactant, which may be an inexpensive 23:24
or widely 1858759
available
Enoch Tamale
component, can increase the amount of product being created. The fractional excess of a component
UBCCHBE241BagherzadehFall2023
is the amount more than needed to complete the balanced reaction. For component i, the fraction
excess is:

n actual − n stoichiometric
f ex , i =
n stoichiometric
where nactual is the number of moles actually entering the reactor and nstoichiometric is the number of
moles needed to complete the stoichiometric reaction. Ex: In the animation above, hydrogen is in
excess, and the fractional excess of hydrogen is ⅔ or 0.67.
Finding the actual amount or flow rate is commonly found by rearranging the fraction excess
expression:

n actual = n stoichiometric ⋅ (1 + f ex , i)©zyBooks 11/22/23 23:24 1858759

Enoch Tamale
UBCCHBE241BagherzadehFall2023
PARTICIPATION
ACTIVITY 3.2.2: Excess and limiting.

Consider the balanced reaction:

1 C2H6 + 3.5 O2 → 2 CO2 + 3 H2O

1) Complete the stoichiometric ratio:

1 mol C 2H 6
? mol CO 2

3.5
2

2) The feed to the reactor has 2 mol/hr

ethane and 5 mol/hr oxygen. The
limiting reactant is:
C2 H 6
O2
CO2

3) If the flow rate of ethane (C2H6) is 3

mol/hr, the stoichiometric flow rate of
oxygen in mol/hr is:
3
3.5
10.5

4) If the stoichiometric flow rate of ©zyBooks 11/22/23 23:24 1858759

Enoch Tamale
oxygen is 14 mol/hr and the fractional UBCCHBE241BagherzadehFall2023
excess of oxygen is 65%, then the
actual flow rate of oxygen in mol/hr is:
14
23
9.1
 5) Now, the basis flow rate is 25 mol/hr
oxygen. The feed also contains ethane
in 100% excess. The feed flow rate of
ethane in mol/hr is:
7.14
14.3
©zyBooks 11/22/23 23:24 1858759
100 Enoch Tamale
UBCCHBE241BagherzadehFall2023

CHALLENGE
ACTIVITY
3.2.1: Calculations with excess and limiting.

495688.3717518.qx3zqy7

fitness_center EXERCISE 3.2.1: Methane and ethane combustion. help_outline

A mixture of fuels, ethane (C2H6) and methane (CH4), is burned in excess air. The fuel stream
enters the furnace at 25°C and 1 atm, while a stream of air enters the furnace at 200°C and 1
atm. At steady state, the flue gas stream leaves the furnace at 800°C and 1 atm and 257 mol/s.
The composition of the flue gas is 7.39 mol% O2, 73.2 mol % N2, 12.3 mol% H2O, 5.43 mol% CO2,
and 1.67 mol% CO.

(a) Draw and label a process flow diagram for this process. Number each stream.
Solution keyboard_arrow_down
(b) Calculate the component molar flow rates (mol/s) of the streams entering to the reactor.
Solution keyboard_arrow_down
(c) Calculate the percent excess oxygen.
Solution keyboard_arrow_down
(d) The total molar flow rate exiting the reactor increases by 15%. Will the percent excess of
oxygen increase, decrease, or stay the same?
©zyBooks 11/22/23 23:24 1858759
Solution keyboard_arrow_down Enoch Tamale
UBCCHBE241BagherzadehFall2023

3.3 Fractional conversion

Learning objectives

Calculate fractional conversion for a reactant.

Apply the definition of fraction conversion to find unknown flow rates or amounts.

A reaction goes to completion when all of the limiting reactant is converted to products. Ex: A
generator burns all available diesel fuel, so the reaction went to completion. Reactions do not go to
©zyBooks 11/22/23
completion in many cases. Fractional conversion quantifies the completeness 23:24 1858759
of a reaction for each
Enoch Tamale
component. The fractional conversion for component i is defined as: UBCCHBE241BagherzadehFall2023

n reacted , i n fed , i − n unreacted , i n unreacted , i

fi = = =1−
n fed , i n fed , i n fed , i

Ex: If 4 mol of component A enter a reactor and the fractional conversion is 0.75, the stream exiting
the reactor should contain 1 mol of component A.

PARTICIPATION
ACTIVITY
3.3.1: Conversion of A to B.

Animation captions:

1. A chemical reaction has A go to B. The fractional conversion of A is the ratio of the moles of A
reacted to moles of A fed.
2. When the conversion of A is zero, all of the A exits the reactor and no B is formed.
3. Conversions between 0.01 and 0.99 lead to both unreacted A and newly formed B exiting the
reactor.
4. When the fractional conversion of A is 1, all of the A is converted to B in the reactor.

PARTICIPATION
ACTIVITY
3.3.2: Finding conversion.

1) A mixture of carbon and oxygen are fed

to a reactor to complete the following
reaction:
C + O2 → CO2.
An expression for conversion can be ©zyBooks 11/22/23 23:24 1858759
written for which component? Enoch Tamale
UBCCHBE241BagherzadehFall2023
O2
CO2
 2) Oxygen is fed to a reactor at 25 mol/hr
to complete the following reaction:
C + O2 → CO2.
If 15 mol/hr of oxygen are reacted in
the reactor, the fraction conversion of
oxygen should be:
1.0 ©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
0.40 UBCCHBE241BagherzadehFall2023
0.60

3) Entering a reactor are water at 44

mol/hr and carbon at 36 mol/hr to
complete the following reaction:
C + 2 H2O → CO2 + 2 H2.
If the fractional conversion of water is
0.87, the flow rate of unreacted water
in mol/hr can be found as:
5.7
38
4.7

4) Entering a reactor are water at 44

mol/hr and carbon at 36 mol/hr to
complete the following reaction:
C + 2 H2O → CO2 + 2 H2.
If 28 mol/hr of hydrogen are formed in
the reactor, the fraction conversion of
carbon should be:
0.78
0.64
0.39

Conversion will be further defined in the context of reacting systems with recycle in another section.
©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
CHALLENGE UBCCHBE241BagherzadehFall2023
ACTIVITY
3.3.1: Calculations using conversion.

495688.3717518.qx3zqy7
 fitness_center EXERCISE 3.3.1: Ammonia conversion. help_outline
A chemical plant produces ammonia (NH3). The feed to a reactor flows at 214 kmol/h with 67.2
mol% hydrogen (H2) and the balance nitrogen (N2). The conversion of nitrogen is 0.139.

(a) Draw and label a process flow diagram.

©zyBooks 11/22/23 23:24 1858759
Solution keyboard_arrow_down Enoch Tamale
UBCCHBE241BagherzadehFall2023
(b) Calculate the molar flow rates (kmol/h) of each component exiting the reactor.
Solution keyboard_arrow_down
(c) The conversion of nitrogen increases by 7%. Will the component flow rate of hydrogen
exiting the reaction increase, decrease or stay the same?
Solution keyboard_arrow_down

fitness_center EXERCISE 3.3.2: Methanol reactor.

help_outline
The synthesis of methanol from carbon monoxide and hydrogen includes nitrogen as an inert
carrier gas. The feed to the reactor is 425 mol/min with 102 mol/min CO, 0.143 mol fraction of N2,
and the balance H2. In the reactor, a single-pass conversion of CO is 75.8%. The reactor effluent
goes to a condenser for further separation.
(a) Draw and label a process flow diagram and number the streams.
Solution keyboard_arrow_down
(b) Calculate the component molar flow rates for all of the components exiting the reactor
(mol/min).
Solution keyboard_arrow_down
(c) The conversion of CO increases by 8%. Will the mole fraction of nitrogen exiting the reactor
increase, decrease or stay the same?
Solution keyboard_arrow_down ©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
UBCCHBE241BagherzadehFall2023

3.4 Extent of reaction

Learning objectives
 Combine reaction stoichiometry and mole balances to calculate one or more extents of reaction.
The extent of reaction quantifies the reacted amount of each component by applying the reaction
stoichiometry. Ex: 10 moles of water enter a reactor, and 3 moles of water exit the reactor. The extent
of reaction is 7 moles of water. For transient operations, the extent of reaction is normally expressed
as an amount, such as moles. For steady state operations, the extent of reaction is expressed as a
flow rate, such as mol/s. The extent of reaction provides a convenient way to solve reacting systems
having one or a small number of balanced reactions. The equation defining extent of reaction is:
©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
moles exiting reactor − moles fed to reactor
UBCCHBE241BagherzadehFall2023
Extent of Reaction =
stoichiometric coefficient
ṅ j , i − ṅ k , i
ξ=
νi

Subscripts j and k represent the stream numbers exiting and entering the reactor, respectively.
Subscript i represents the component, such as methane. The modified stoichiometric coefficients (νi)
are the stoichiometric coefficients multiplied by +1 for products and stoichiometric coefficients
multiplied by -1 for reactants. Thus, the modified stoichiometric coefficients determine if moles are
added or subtracted during the reaction.

One common problem solving method is to tabulate the moles of each component exiting the reactor.
The extent of reaction may be applied to multiple reactions (ξ1, ξ2, etc.). The definition of extent of
reaction is rearranged to formulate a set of equations.

For a single reaction: ṅ j , i = ṅ k , i + ν i ⋅ ξ

For m different reactions: ṅ j , i = ṅ k , i + ∑ ν i , m ⋅ ξ m

m

The subscript m defines each reaction for a set of multiple reactions. Since a new and unknown
extent of reaction is introduced for each reaction, an additional equation would be needed to solve the
material balances. Therefore, using the extent of reaction to solve systems with multiple reactions
quickly becomes time consuming. Atom balances are usually preferred when solving a problem with
multiple reactions.

PARTICIPATION
ACTIVITY 3.4.1: Solving an ammonia synthesis reactor using extent of reaction.

©zyBooks 11/22/23 23:24 1858759

Animation content: Enoch Tamale
UBCCHBE241BagherzadehFall2023

undefined

Animation captions:

1. A problem statement gives a reaction that does not go to completion.

2. A simple PFD is sketched. The inlet stream is numbered 1. The outlet stream is numbered 2.
 3. The extent of reaction helps find the unknown flow rates. The general expression for the extent
of reaction is written.
4. A table is constructed to organize the entering and exiting flow rates. The known information
is filled in.
5. Stream 2 mole balances are expressed in terms of the extent of reaction. The extent of
reaction is found and then all of the exiting flow rates are calculated.
©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
PARTICIPATION
ACTIVITY 3.4.2: Finding extent of reaction. UBCCHBE241BagherzadehFall2023

1) Water can be split into hydrogen and

oxygen by the following reaction:
2 H2 O → 2 H 2 + O2
Finding the flow rate of each
component exiting the reactor would
include:
ṅ exit , water = ṅ entering , water − 2 ⋅ ξ

ṅ exit , hydrogen = ṅ entering , hydrogen + 2 ⋅ ξ

ṅ exit , oxygen = ṅ entering , oxygen + ___ ⋅ ξ

The missing term in the oxygen

expression is:
+1
-1
+2

©zyBooks 11/22/23 23:24 1858759

Enoch Tamale
UBCCHBE241BagherzadehFall2023
2) Continuing with the water splitting
reacting system, the entering stream
contains 88 mol/hr water and no
oxygen or hydrogen. Simplifying the
expressions for the exiting flow rates:
ṅ exit , water = ___ − 2 ⋅ ξ

©zyBooks 11/22/23 23:24 1858759

ṅ exit , hydrogen = 2 ⋅ ξ Enoch Tamale
UBCCHBE241BagherzadehFall2023
ṅ exit , oxygen = ξ

The missing term in the water

expression is:
0 mol/hr
88 mol/hr
2 mol/hr

3) 14 mol/hr water exits the reactor. Now,

the extent of reaction can be found as:
37 mol/hr
44 mol/hr
14 mol/hr

4) With the extent of reaction correctly

identified, the exit flow rates can be
calculated. The exit flow rate of
hydrogen is:
37 mol/hr
14 mol/hr
74 mol/hr

5) With all of the entering and exit flow

rates now known, the reactor is solved.
What was the fractional conversion of ©zyBooks 11/22/23 23:24 1858759
water in the water splitting reactor? Enoch Tamale
UBCCHBE241BagherzadehFall2023
1.0
0.16
0.84
 CHALLENGE
ACTIVITY 3.4.1: Calculations using extent of reaction.

495688.3717518.qx3zqy7

fitness_center EXERCISE 3.4.1: Methanol synthesis. help_outline

©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
Methanol (CH3OH) can be used as an antifreeze or fuel and canUBCCHBE241BagherzadehFall2023
be synthesized from carbon
monoxide (CO) and hydrogen (H2). The product from a reactor contains CO, H2, CH3OH, and 102
mol/h N2 (an inert component). The total flow rate of the feed to the reactor is 476 mol/h, and the
feed contains an equal molar flow rate of CO and H2. The total flow rate exiting the reactor is 318
mol/h.
(a) Draw and label a process flow diagram.

Solution keyboard_arrow_down
(b) Calculate the molar flow rates (mol/h) of each component exiting the reactor.

Solution keyboard_arrow_down
(c) The total molar flow rate exiting the reactor decreases by 10 mol/h. Will the extent of
reaction increase, decrease or stay the same?
Solution keyboard_arrow_down

3.5 Yield and selectivity

Learning objectives

Integrate definitions of yield and/or selectivity to solve systems involving chemical reactions.

The amount of primary product is usually optimized for a process. Yield is defined as the amount of
component i formed compared to the theoretically possible amount. Ex: A side reaction that turns the
©zyBooks 11/22/23 23:24 1858759
primary product into other products is one inefficiency that causes smaller yields.
EnochSelectivity
Tamale is the
ratio of moles of the desired product i to the moles of undesired products. Undesired products may be
UBCCHBE241BagherzadehFall2023
less valuable than a primary product or cause a reactor to consume more energy.
 moles i formed
Yield =
max possible moles i formed

moles i formed
Selectivity =
moles undesired products

Example 3.5.1: Ethanol from acetic acid. ©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
UBCCHBE241BagherzadehFall2023
While the biochemical conversion of sugar is the primary route to ethanol for consumption, a
chemical route can also be used. Acetic acid (CH3COOH) reacts with hydrogen (H2) to form
ethanol (C2H5OH) and water (H2O). The feed to the reactor, 218 mol/min, contains 13.7 mole%
acetic acid and the balance hydrogen. The feed enters the reactor at 96.5°C. Some of the
ethanol produced then decomposes into diethyl ether ((C2H5)2O) and water. The acetic acid
conversion is 35.7%, and the yield of ethanol (moles ethanol produced/mole acetic acid
consumed) is 0.775. The products exit at 223°C. All reactants and products are gases.

The goals are to:

1. Calculate the component molar flow rates (mol/min) of the reactor effluent.
2. Explore a concept question: A clever engineer adjusts the reactor conditions to improve
the yield by 5%. Will the amount of water exiting the reactor increase, decrease, or stay the
same?

Step-by-step solution

Step 1. The process flow diagram involves a single reactor process unit with one stream
entering and one exiting.

mol
Step 2. The basis should be the flow rate entering the reactor. ṅ 1©zyBooks
= 218 min11/22/23 23:24 1858759
Enoch Tamale
UBCCHBE241BagherzadehFall2023
Step 3. The system should be defined as the reactor, which is the only process unit.

Steps 4, 5, and 6. While the flow rates are given in molar units, the problem involves multiple
reactions. Since moles are not conserved in many reacting systems, atom balances are
preferred over mole balances. Carbon, hydrogen, and oxygen are three different atoms that lead
to three atom balances. The five components in the atom balances are abbreviated as: Acetic
acid (AA), Water (W), Ethanol (EtOH), Diethyl ether (DE), and Hydrogen (H).

2 atom C 2 atom C 2 atom C 4 atom C

C : ṅ 1 , AA ⋅ = ṅ 2 , AA ⋅ + ṅ 2 , EtOH ⋅ + ṅ 2 , DE ⋅
1 mol AA 1 mol AA 1 mol EtOH 1 mol DE

4 atom H 2 atom H ©zyBooks 11/22/23 23:24 1858759

H : ṅ 1 , AA ⋅ + ṅ 1 , H ⋅ =
1 mol AA 1 mol H Enoch Tamale
UBCCHBE241BagherzadehFall2023
4 atom H 2 atom H 2 atom H 6 atom H 10 atom H
ṅ 2 , AA ⋅ + ṅ 2 , H ⋅ + ṅ 2 , W ⋅ + ṅ 2 , EtOH ⋅ + ṅ 2 , DE ⋅
1 mol AA 1 mol H 1 mol W 1 mol EtOH 1 mol DE

2 atom O
O : ṅ 1 , AA ⋅ =
1 mol AA
2 atom O 1 atom O 1 atom O 1 atom O
ṅ 2 , AA ⋅ + ṅ 2 , W ⋅ + ṅ 2 , EtOH ⋅ + ṅ 2 , DE ⋅
1 mol AA 1 mol W 1 mol EtOH 1 mol DE

Step 7. Yield and conversion of AA provide two additional equations.

ṅ 2 , EtOH
Yield : = 0.775
ṅ 1 , AA − ṅ 2 , AA

ṅ 1 , AA − ṅ 2 , AA
Conversion : f AA = = 0.357
ṅ 1 , AA

Step 8. The unknowns involve the five component flow rates exiting the reactor.

ṅ 2 , AAṅ 2 , Hṅ 2 , EtOHṅ 2 , DEṅ 2 , W

Step 9. With 5 unknowns and 5 independent equations, the system can be solved. No additional
systems are needed in Step 10. Thus, solving the system in Step 11 comes next.
All of the atom balances have multiple unknowns, so the extra equations should be solved first.
Beginning with the conversion of acetic acid:

©zyBooks 11/22/23 23:24 1858759

Enoch Tamale
UBCCHBE241BagherzadehFall2023
 ṅ 1 , AA − ṅ 2 , AA
f AA =
ṅ 1 , AA

mol
218 min ⋅ 0.137 − ṅ 2 , AA
0.357 = mol
218 min ⋅ 0.137
©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
mol
29.9 min − ṅ 2 , AA UBCCHBE241BagherzadehFall2023
0.357 = mol
29.9 min

mol
ṅ 2 , AA = 19.2 min

Next, the yield equation has only one unknown, so the exit flow rate of ethanol can be found.

ṅ 2 , EtOH
= 0.775
ṅ 1 , AA − ṅ 2 , AA

ṅ 2 , EtOH
mol mol
= 0.775
29.9 min − 19.2 min

mol
ṅ 2 , EtOH = 8.29 min

Now, the atom balances can be solved. Beginning with the carbon balance is easiest, since this
equation has only one unknown.

2 atom C 2 atom C 2 atom C 4 atom C

ṅ 1 , AA ⋅ = ṅ 2 , AA ⋅ + ṅ 2 , EtOH ⋅ + ṅ 2 , DE ⋅
1 mol AA 1 mol AA 1 mol EtOH 1 mol DE

mol 2 atom C mol 2 atom C mol 2 atom C 4 atom C

29.9 min ⋅ = 19.2 min ⋅ + 8.29 min ⋅ + ṅ 2 , DE ⋅
1 mol AA 1 mol AA 1 mol EtOH 1 mol DE

mol
ṅ 2 , DE = 1.21 min
©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
Next, the oxygen balance has only one unknown and can be solved.
UBCCHBE241BagherzadehFall2023
 2 atom O 2 atom O 1 atom O 1 atom O 1 atom O
ṅ 1 , AA ⋅ = ṅ 2 , AA ⋅ + ṅ 2 , W ⋅ + ṅ 2 , EtOH ⋅ + ṅ 2 , DE ⋅
1 mol AA 1 mol AA 1 mol W 1 mol EtOH 1 mol DE

mol 2 atom O mol 2 atom O 1 atom O mol 1 atom O mol 1 atom O

29.9 min ⋅ = 19.2 min ⋅ + ṅ 2 , W ⋅ + 8.29 min ⋅ + 1.21 min ⋅
1 mol AA 1 mol AA 1 mol W 1 mol EtOH 1 mol DE

mol
ṅ 2 , W = 11.9 min
©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
Finally, the exit flow rate of hydrogen can be found from the hydrogen balance.
UBCCHBE241BagherzadehFall2023

4 atom H 2 atom H 4 atom H 2 atom H 2 atom H

ṅ 1 , AA ⋅ + ṅ 1 , H ⋅ = ṅ 2 , AA ⋅ + ṅ 2 , H ⋅ + ṅ 2 , W ⋅
1 mol AA 1 mol H 1 mol AA 1 mol H 1 mol W
6 atom H 10 atom H
+ ṅ 2 , EtOH ⋅ + ṅ 2 , DE ⋅
1 mol EtOH 1 mol DE

mol 4 atom H mol 2 atom H mol 4 atom H 2 atom H mol 2 atom H

29.9 min ⋅ + 188 min ⋅ = 19.2 min ⋅ + ṅ 2 , H ⋅ + 11.9 min ⋅
1 mol AA 1 mol H 1 mol AA 1 mol H 1 mol W
mol 6 atom H mol 10 atom H
+ 8.29 min ⋅ + 1.21 min ⋅
1 mol EtOH 1 mol DE

mol
ṅ 2 , H = 167 min

Step 12. Balancing both reactions and finding two extents of reaction should yield the same exit
flow rates.

PARTICIPATION
ACTIVITY
3.5.1: Questions about yield/selectivity example.

Use the example above to answer the following questions.

1) A significant amount of information

was given in the problem statement.
Which value was not needed to find the
exit flow rates?
©zyBooks 11/22/23 23:24 1858759
218 mol/min Enoch Tamale
UBCCHBE241BagherzadehFall2023
0.775
223°C
2) Yield was defined as the ratio of moles
of ethanol formed to the maximum
possible number of moles of ethanol
formed. In this case, the denominator
simplifies to:
Moles acetic acid consumed
Moles hydrogen consumed ©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
Moles ethanol consumed UBCCHBE241BagherzadehFall2023

3) Selectivity is the ratio of moles of

desired product formed to moles of
undesired product formed. Ethanol is
the desired product, while the primary
undesired product should be:
Water
Hydrogen
Diethyl ether

4) Now that selectivity is defined, the

value of selectivity can be calculated
using:

moles ethanol
Selectivity =
moles diethyl ether

0.775
6.85
8.29

5) Finally, knowing the reaction

stoichiometry will help answer the
concept question. Finish balancing the
first reaction:

1 CH3COOH + ___ H2 → 1 C2H5OH + 1 ©zyBooks 11/22/23 23:24 1858759

Enoch Tamale
H 2O UBCCHBE241BagherzadehFall2023
1
2
3
 6) Finally, answer the concept question: A
clever engineer adjusts the reactor
conditions to improve the yield by 5%.
The amount of water exiting the
reactor will _____.
Increase
Decrease ©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
Stay the same UBCCHBE241BagherzadehFall2023

fitness_center EXERCISE 3.5.1: Ethylene to ethanol yield. help_outline

Ethanol can be produced using a chemical reaction by starting with the hydrocarbon ethylene.
The hydration of ethylene (C2H4 + H2O → C2H5OH) creates ethanol, but some of the ethanol is
converted to diethyl ether by a second reaction (2 C2H5OH → (C2H5)2O + H2O). The feed to the
reactor contains a gas mixture of ethylene and water at 225°C. Ethylene enters at 138 mol/hr, and
water enters at 305 mol/h. The fractional conversion of ethylene is 71.2%. The selectivity, which is
defined as the ratio of ethanol production to diethyl ether production, is 2.83.

(a) Draw and label a process flow diagram. Clearly number each stream.
Solution keyboard_arrow_down
(b) Calculate the component molar flow rates (mol/h) of the stream exiting the reactor.

Solution keyboard_arrow_down
(c) Calculate the fractional yield of ethanol (ratio of ethanol produced to the ethylene
consumed).
Solution keyboard_arrow_down
(d) Emmanuel, a clever engineer, adjusts the reactor conditions to double the selectivity. Will the
molar flow rate of water exiting the reactor increase, decrease, or stay the same?
Solution keyboard_arrow_down
©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
CHALLENGE UBCCHBE241BagherzadehFall2023
ACTIVITY
3.5.1: Acetic acid series reaction material balance.

495688.3717518.qx3zqy7
 3.6 Reaction equilibrium

Learning objectives

Construct expressions for equilibrium constant for a reversible chemical reaction.

©zyBooks 11/22/23 23:24 1858759
Combine expressions and material balances to solve a reacting system. Enoch Tamale
UBCCHBE241BagherzadehFall2023
A reversible chemical reaction can turn reactants into products as well as products back into
reactants. A two-way arrow in a reaction signifies that the reaction can proceed in either direction. The
conditions of the reaction, including temperature, pressure, and other properties, determine the
amount of products and reactants. Chemical reaction equilibrium is reached when the amounts of
the products and reactants stop changing with time. Chemical reaction equilibrium is covered in
greater detail in chemistry and thermodynamics courses. The emphasis here will be on using the
equilibrium constant for a reacting system. The equilibrium constant (Keq) quantifies the ratio of
products to reactants. The equilibrium constant can be written in terms of concentration, partial
pressure, or mole fractions.

Table 3.6.1: Equilibrium expressions.

For the
aA + bB ⇄ cC + dD
reaction:

Equilibrium
In terms of
expression

[C] c ⋅ [D] d
Concentration K eq =
[A] a ⋅ [B] b

Partial [P C] c ⋅ [P D] d
K eq =
pressures [P A] a ⋅ [P B] b
©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
UBCCHBE241BagherzadehFall2023

[y C] c ⋅ [y D] d
Mole fractions K eq =
[y A] a ⋅ [y B] b
PARTICIPATION
ACTIVITY
3.6.1: Equilibrium constant.

Animation captions:

1. Beginning with a reversible chemical reaction, the stoichiometric coefficients (a, b, c, d)

balance the components (A, B, C, D).
©zyBooks 11/22/23 23:24 1858759
2. The equilibrium constant is the ratio of products to reactants. Stoichiometric coefficients
Enoch Tamale
provide exponents for the mole fraction of each component. UBCCHBE241BagherzadehFall2023
3. Chemical equilibrium applies to all components in a single stream for a steady state,
continuous reactor.
4. The equilibrium constant has the same general form with additional subscripts for the stream
location.

PARTICIPATION
ACTIVITY
3.6.2: Using the equilibrium constant.

1) For the balanced, reversible chemical

reaction

N 2 + 3 H 2 ⇄ 2 NH 3

The equilibrium constant should be:

?
K eq =
y N ⋅ y 3H
2 2

The numerator should be:

yN
2

y NH
3

y 2NH
3
©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
UBCCHBE241BagherzadehFall2023
 2) Ammonia, nitrogen, and hydrogen leave
a reactor in chemical equilibrium with
mole fractions of 0.40, 0.35, 0.25,
respectively. The equilibrium constant
can be calculated as:
29
4.6 ©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
40 UBCCHBE241BagherzadehFall2023

3) The temperature of the same reactor is

adjusted, and the mole fraction of
ammonia at chemical equilibrium
increases to 0.50.

The equilibrium constant will be _____

29.
>
<
=

CHALLENGE
ACTIVITY
3.6.1: Using equilibrium constant.

495688.3717518.qx3zqy7

Many equilibrium reactors involve a single reaction. The extent of reaction method, detailed in another
section, works well for systems with a single equilibrium reaction. The example and question set
below combine equilibrium constant and extent of reaction.

PARTICIPATION
ACTIVITY 3.6.3: Methanol equilibrium.

Methanol (CH3OH) can be formed by a reversible reaction between carbon monoxide (CO)
and hydrogen (H2). The equilibrium constant for this reaction varies with temperature
©zyBooks by K
11/22/23 23:24 1858759
eq
= 0.03 ⋅ exp(3200/T(K)). However, the thermocouple reading the temperature in the reactor is
Enoch Tamale
UBCCHBE241BagherzadehFall2023
broken and so the temperature is unknown. The feed contains 33 mol/min of carbon
monoxide, 50 mol/min of hydrogen, 10 mol/min of inert argon (Ar), and no methanol. The
total flow rate of the product stream at equilibrium is 80 mol/min.

The goals are to:

1. Find the extent of reaction (mol/min).

 2. Calculate the equilibrium constant for the reactor.
3. Explore a concept question: The temperature of the reactor increases by 70°F due to a
power surge. Will the concentration of methanol in the exit stream increase, decrease,
or stay the same?

Step 1. The PFD includes two streams and four different components.

©zyBooks 11/22/23 23:24 1858759

Enoch Tamale
UBCCHBE241BagherzadehFall2023

Step 2. The component flow rates of Stream 1 serve as the basis.

Step 3. The reactor serves as the only system of interest.

1) Steps 4, 5, and 6 relate to balances. For

finding extent of reaction, a
stoichiometric table accounts for the
mole entering and exiting the reactor.
To construct the stoichiometric table,
the balance chemical reaction is
needed:

1 CO + ___ ⇄ 1 CH 3OH

Identify the missing term.

1 H2

2 H2

1 Ar

©zyBooks 11/22/23 23:24 1858759

Enoch Tamale
UBCCHBE241BagherzadehFall2023
2) Filling in the stoichiometric table helps find
the extent of reaction. Select the expression
for the exiting flow rate of hydrogen.

Component ṅ 1 , i [mol / min] ṅ 2 , i [mol / min]

CO 33 33 - ξ ©zyBooks 11/22/23 23:24 1858759

Enoch Tamale
UBCCHBE241BagherzadehFall2023
H2 50 ?

CH3OH 0 ξ

Ar 10 10

50 + 2 ∙ ξ
50 - ξ
50 - 2 ∙ ξ

©zyBooks 11/22/23 23:24 1858759

Enoch Tamale
UBCCHBE241BagherzadehFall2023
3) Now, the extent of reaction can be found since the
total molar flow rate exiting the reactor is given (Step
7).

mol
∑ ṅ 2 , i = 80 min
mol
ṅ 2 , CO + ṅ 2 , H + ṅ 2 , CH OH + ṅ 2 , Ar = 80 min ©zyBooks 11/22/23 23:24 1858759
2 3 Enoch Tamale
UBCCHBE241BagherzadehFall2023
mol mol mol mol mol
(33 − ξ) min + (50 − 2 ⋅ ξ) min + (ξ) min + (10) min = 80 min

93 − 2 ⋅ ξ = 80

mol
ξ = 6.5 min

With the extent of reaction known, the exit flow rates

can be calculated (Steps 8 to 11). However, the goal
was to calculate the equilibrium constant for the
reactor. From the balanced reaction, Keq = ?
y2 , M

y 2 , CO ⋅ y 22 , H
2

2
y 2 , CO ⋅ y2 , H
2

y2 , M

y2 , M
y 2 , CO

4) Calculating Keq requires the mole

fractions in Stream 2. The mole
fraction of hydrogen in Stream 2
should be:
1.0
0.33
©zyBooks 11/22/23 23:24 1858759
0.46 Enoch Tamale
UBCCHBE241BagherzadehFall2023
5) Finally, calculate Keq.
0.53
1.16
0.87
 6) Christina, the engineer operating the
reactor, increases the temperature of
the reactor by 70°F so the molar flow
rate exiting the reactor changes. Will
the mole fraction of methanol in the
exit stream increase, decrease, or stay
the same?
©zyBooks 11/22/23 23:24 1858759
Increase Enoch Tamale
UBCCHBE241BagherzadehFall2023
Decrease
Stay the same

fitness_center EXERCISE 3.6.1: Methanol formation. help_outline

A equilibrium reaction between carbon monoxide (CO) and hydrogen (H2) can be used to form
methanol (CH3OH). When the steady state reactor is running well, the equilibrium constant is
12.8. The feed to the reactor is 98.4 mol/hr, which contains a gas mixture of CO and H2 with a
hydrogen mole fraction of 0.703.

(a) Draw and label a process flow diagram. Number each stream and label the components
(M=Methanol; CO=Carbon Monoxide; H=Hydrogen).
Solution keyboard_arrow_down
(b) Calculate the component molar flow rates of the exiting stream (mol/hr). Hint: An equation
solver program can help solve this problem.
Solution keyboard_arrow_down
(c) Now, the equilibrium constant is unknown and one of the component flow rates exiting the
reactor is known. Find the equilibrium constant when almost all of the CO is consumed. In
this case, 0.2 mol/hr CO exit the reactor.
Solution keyboard_arrow_down

CHALLENGE ©zyBooks 11/22/23 23:24 1858759

ACTIVITY 3.6.2: Polymer reversible reaction.
Enoch Tamale
UBCCHBE241BagherzadehFall2023
495688.3717518.qx3zqy7

3.7 Combustion reactions

Learning objectives

Distinguish between complete combustion and partial combustion reactions.

Apply definitions of excess air, wet basis, and dry basis as needed to solve a reacting system.

One of the most common subsets of chemical reactions is combustion reactions, or the burning of
fuel. A combustion reaction changes a fuel when exposed to oxygen at certain temperatures and
©zyBooks 11/22/23
pressures. Ex: Gasoline is combusted in many cars, creating the components that exit23:24 1858759
the exhaust
Enoch Tamale
pipe. A number of other definitions are needed to convey commonUBCCHBE241BagherzadehFall2023
combustion-related terms. These
terms can lead to extra equations needed to solve material and energy balance problems. While the
reaction nomenclature and definitions, such as excess or extent of reaction, still apply for combustion,
additional definitions and clarifications bound combustion systems.

Complete and partial combustion

Complete combustion is the reaction between a fuel and oxygen, yielding carbon dioxide and water as
the products. Partial combustion is the reaction between a fuel and oxygen where the products are
carbon monoxide and water. Complete and partial combustion are detailed in the animation below.

PARTICIPATION
ACTIVITY 3.7.1: Combustion reactions.

Animation captions:

1. Combustion is the class of reactions between fuel and oxygen.

2. Complete combustion forms carbon dioxide and water. Stoichiometric coefficients (a,b,c,d)
are used to balance the reaction.
3. Partial combustion creates carbon monoxide and water. Stoichiometric coefficients (e,f,g,h)
are again used to balance the reaction.

PARTICIPATION
ACTIVITY
3.7.2: Complete and partial combustion.

1) The reaction for the complete

combustion of methane is:
CH4 + O2 → H2O + _____ ©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
CO2 UBCCHBE241BagherzadehFall2023
CO
H 2O
 2) Balancing the complete combustion
reaction for methane includes finding
the unknown stoichiometric coefficient:
1 CH4 + ___ O2 → 1 CO2 + 2 H2O
1
2
©zyBooks 11/22/23 23:24 1858759
3 Enoch Tamale
UBCCHBE241BagherzadehFall2023
3) Completing the balanced partial
combustion reaction for methane
gives:
1 CH4 + 1.5 O2 → ______
2 CO + 1 H2O
1 CO2 + 2 H2O
1 CO + 2 H2O

4) Fuel can be more complicated than

methane or other simple hydrocarbons.
Fuels may contain other atoms,
including oxygen, nitrogen, and sulfur.
Finish balancing the complete
combustion of butanol:
1 C4H9OH + ___ O2 → 4 CO2 + 5 H2O
4.5
6
6.5

Excess air

Oxygen is commonly delivered to a combustion reactor as air. Air is nominally composed of 79 mol%
nitrogen (N2) and 21 mol% oxygen (O2); or, air consists of 3.76 moles of N2 per 1 mole of O2. The
numerous minor components of air (e.g., carbon dioxide, argon, etc.) are generally ignored for material
balances at the level of detail covered here. The amount of water in©zyBooks
air will be11/22/23
addressed during
23:24 the
1858759
discussion of humidity covered elsewhere. While the combination of partial and complete
Enoch Tamale combustion
UBCCHBE241BagherzadehFall2023
reactions is common, the definition of excess reactant, usually oxygen or air, is based on the complete
combustion reaction proceeding to completion.

PARTICIPATION
ACTIVITY
3.7.3: Excess air in combustion reactions.

Animation captions:
 1. The complete combustion of methane is a balanced chemical reaction.
2. Combustion reactions are commonly completed with excess oxygen. 50% excess oxygen is
added in this example.
3. Balancing the reaction with excess oxygen adds oxygen as a product.
4. Combustion reactions commonly occur in air instead of pure oxygen. Air is generally made up
of 1 mol of oxygen for every 3.76 mol of nitrogen.
5. Combustion in excess air leads to oxygen and nitrogen as products.
©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
UBCCHBE241BagherzadehFall2023
PARTICIPATION
ACTIVITY
3.7.4: Excess air.

1) The complete combustion of ethane is:

1 C2H6 + 3.5 O2 → 2 CO2 + 3 H2O

37% excess oxygen would require 4.8

O2 as the reactant oxygen.
True
False

2) Combustion in excess air will always

have oxygen and nitrogen on the
product side of the reaction.
True
False

3) The correctly balanced complete

combustion of ethane in 37% excess
air is:
1 C2H6 + 4.8 (O2 + 3.76 N2) →

2 CO2 + 3 H2O + 1.3 O2 + 3.76 N2

True
False

©zyBooks 11/22/23 23:24 1858759

Enoch Tamale
Wet and dry basis UBCCHBE241BagherzadehFall2023

Combustion products are a mixture that can include unreacted fuel, oxygen, nitrogen, and reaction
products (from both partial and complete combustion). Reporting product concentrations, such as
mole fractions, on a wet basis includes all components. Ex: Products contain mole fractions of 0.40
for CO2 and 0.60 for H2O. A dry basis includes the product concentrations of all of the components
except water. Ex: Combustion products contain mole fractions of 0.85 for CO2 and 0.15 for CO on a
dry basis. Water is still a product when a dry basis is reported, and finding the mole fraction of water
allows new mole fractions to be calculated for all components, which is the wet basis.

PARTICIPATION
ACTIVITY
3.7.5: Excess air question set.

1) For the complete combustion of

ethane, the products can be reported ©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
on a dry basis as 0.40 for CO2 and 0.60 UBCCHBE241BagherzadehFall2023
for H2O.
True
False

2) Combustion products for the fuel

ethane are reported as mole fractions
of 0.67 CO2 and 0.33 CO on a dry basis.
The same combustion products can be
reported as mole fractions of 0.27 for
CO2, 0.13 for CO, and 0.60 for H2O on a
wet basis.
True
False

Additional terms related to combustion will be covered with energy balances in another section.

CHALLENGE
ACTIVITY
3.7.1: Balancing combustion reactions.

495688.3717518.qx3zqy7

fitness_center EXERCISE 3.7.1: Balancing propane combustion reactions. help_outline

A series of combustion reactions involving propane (C3H8) should be balanced below. Propane is
normally derived from natural gas and used for cooking and heating.
©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
(a) Find the stoichiometric coefficients a, b, and c for the complete combustion of propane:
UBCCHBE241BagherzadehFall2023
1 C3H8 + a O2 → b CO2 + c H2O
Solution keyboard_arrow_down
(b) Find the stoichiometric coefficients d, e, f, and g for the complete combustion of propane
with 77% excess oxygen:
1 C3H8 + d O2 → e CO2 + f H2O + g O2
 Solution keyboard_arrow_down
(c) Find the stoichiometric coefficients h, i, j, k, and l for the complete combustion of propane
with 82% excess oxygen and 67% conversion of propane:
1 C3H8 + h O2 → i CO2 + j H2O + k O2 + l C3H8
Solution keyboard_arrow_down ©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
(d) Find the stoichiometric coefficients m, n, and o for the partial combustion of propane:
UBCCHBE241BagherzadehFall2023
1 C3H8 + m O2 → n CO + o H2O
Solution keyboard_arrow_down

3.8 Reaction with recycle

Learning objectives

Distinguish between single pass conversion and overall conversion for a multi-unit reacting
system.
Formulate and solve material balances for systems including chemical reactions, recycle, and/or
purge.

Single pass and overall conversion

Reacting system problems can become more complicated when combined with the concepts of
recycle and purge, which are defined elsewhere. In a reacting system with recycle, the conversion can
be defined as single pass conversion or overall conversion. Single pass conversion is the ratio of
reacted amount of one component in the reactor to the amount of the component entering the
reactor. Overall conversion is the ratio of reacted amount of one component entering the overall
system to the amount of the component entering the overall system. The animation below details
single pass and overall conversion.

PARTICIPATION
ACTIVITY
3.8.1: Single pass and overall conversion.
©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
UBCCHBE241BagherzadehFall2023
Animation captions:

1. A PFD with a reactor and a separator includes one recycle stream (Stream 5).
2. The conversion of component A is of interest. Component A exists in all five streams.
3. Single pass conversion of A is defined for the reactor system.
4. Overall conversion of A involves the stream entering and exiting the overall system.
PARTICIPATION
ACTIVITY
3.8.2: Single pass and overall conversion.

The PFD provided below contains all of the flow rates for the streams so questions can be
answered related to overall and single pass conversion.

©zyBooks 11/22/23 23:24 1858759

Enoch Tamale
UBCCHBE241BagherzadehFall2023

1) The single pass conversion of A is

expressed as:

ṅ 2 , A − ?
f SP , A =
ṅ 2 , A

Fill in the missing term.

ṅ 1 , A

ṅ 2 , A

ṅ 3 , A

2) Calculate the single pass conversion of

B.
0.48
0.24
0.60
©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
UBCCHBE241BagherzadehFall2023
 3) The overall conversion of A involves the
unreacted A of the overall system in
Stream 6 and the fresh feed of A in
Stream 1. Calculate the overall
conversion of A.
0.14
0.86 ©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
0.42 UBCCHBE241BagherzadehFall2023

4) Finish the expression for the overall

conversion of B:

ṅ 1 , B − ?
f OV , B =
ṅ 1 , B

ṅ 6 , B

ṅ 6 , B + ṅ 4 , B

ṅ 3 , B

Reaction, recycle, and purge

The terms recycle and purge were introduced in another section, and their definitions are repeated
here.

Table 3.8.1: Recycle and bypass stream.

A recycle stream returns processed material to an earlier process unit for additional
processing and provides a way to increase the amount of desired product or the purity of
the product.

A purge stream is removed from a recycle stream to avoid buildup of an undesirable

component in the system. ©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
UBCCHBE241BagherzadehFall2023

Example 3.8.1: Butane and propane combustion.

A mixed hydrocarbon fuel of butane (C4H10) and propane (C3H8) is burned in air . The feed to
the reactor (fuel + air) is at 200°C and 1 atm combines a fresh feed stream and a recycle
stream. The hydrocarbon fuel enters the reactor at 25 mol/s and is composed of 62 mol%
butane and the rest propane, while the air (molar ratio of 11.5 N2: 1 O2) enters the reactor at
625 mol/s. The single pass conversions of the butane and propane are the same value. The
product stream contains 4 moles of carbon dioxide (CO2) for every mole of carbon monoxide
©zyBooks
(CO). Additionally, 3 moles of water (H2O) for every mole of hydrogen 11/22/23
(H2) are 23:24 The
produced. 1858759
Enoch Tamale
product gas contains 3.5 mol/s CO. The products leave the reactor as an ideal gas at 600°C
UBCCHBE241BagherzadehFall2023
and 3 atm. A separator splits the reactor products into two streams: a product stream
containing all of the CO, CO2, H2, and water, and a stream containing the unreacted
hydrocarbons and air. The stream containing the unreacted species is split with 80% of the
total molar flow rate being recycled and the rest being purged.

The goals are to:

1. Calculate the component flow rates (mol/s) of all species exiting the reactor.
2. Calculate the overall conversion (%) of oxygen.
3. Explore a concept question: The ratio of carbon dioxide to carbon monoxide increases
by 25%. Will the number of moles of fuel reacting by complete combustion increase,
decrease, or stay the same?

Step-by-step solution

Step 1. The process flow diagram involves a reactor, separator, and split point.

©zyBooks 11/22/23 23:24 1858759

Enoch Tamale
mol
Step 2. The basis is the total feed to the reactor (Stream 2). UBCCHBE241BagherzadehFall2023
ṅ 2 = 650 s

Step 3. Defining the system as the reactor process unit is a logical place to start for two
reasons. First, a lot of information is given related to the reactor, and second, the first goal is
to evaluate the stream exiting the reactor.
Steps 4, 5, and 6. CO and CO2 are both combustion products, so complete and partial
combustion reactions occur. However, H2 is also a product from an unspecified side reaction.
In addition, moles may not be conserved in many reacting systems, including this example.
Therefore, a problem with multiple reactions and unknown reaction stoichiometry should be
solved with atom balances. Carbon, hydrogen, oxygen, and nitrogen are the four atoms to
balance in this case. Propane and butane will be abbreviated in the balances and extra
equations as propane (P) and butane (B).
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Enoch Tamale
UBCCHBE241BagherzadehFall2023

3 atom C 4 atom C 3 atom C

C : ṅ 2 , P ⋅ + ṅ 2 , B ⋅ = n3 , P ⋅ +
1 mol P 1 mol B 1 mol P
4 atom C 1 atom C 1 atom C
ṅ 3 , B ⋅ + ṅ 3 , CO ⋅ + ṅ 3 , CO ⋅
1 mol B 1 mol CO 2 1 mol CO 2

8 atom H 10 atom H 8 atom H

H : ṅ 2 , P ⋅ + ṅ 2 , B ⋅ = ṅ 3 , P ⋅ +
1 mol P 1 mol B 1 mol P
10 atom H 2 atom H 2 atom H
ṅ 3 , B ⋅ + ṅ 3 , H ⋅ + ṅ 3 , H O ⋅
1 mol B 2 1 mol H 2 2 1 mol H 2O

2 atom O 2 atom O 1 atom O

O : ṅ 2 , O ⋅ = ṅ 3 , O ⋅ + ṅ 3 , CO ⋅ +
2 1 mol O 2 2 1 mol O 2 1 mol CO

2 atom O 1 atom O
ṅ 3 , CO ⋅ + ṅ 3 , H O ⋅
2 1 mol CO 2 2 1 mol H 2O

N : ṅ 2 , N = ṅ 3 , N
2 2

Step 7. Three extra equations are provided in the problem statement: Conversion of butane
equals conversion of propane, molar ratio of carbon dioxide to carbon monoxide, and molar
ratio of hydrogen to water.

ṅ 2 , B − ṅ 3 , B ṅ 2 , P − ṅ 3 , P
Conversions : f B = = fP = = f conv
ṅ 2 , B ṅ 2 , P ©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
UBCCHBE241BagherzadehFall2023
ṅ 3 , CO = 4 ⋅ ṅ 3 , CO
2

ṅ 3 , H O = 3 ⋅ ṅ 3 , H
2 2

Step 8. The seven component flow rates exiting the reactor should be identified as
unknowns. The eighth component flow rate exiting the reactor was given in the problem
statement.

ṅ 3 , Pṅ 3 , Bṅ 3 , CO ṅ 3 , H Oṅ 3 , H ṅ 3 , O ṅ 3 , N

2 2 2 2 2

Step 9. With 7 unknowns and 7 independent equations, the reactor system can be solved.
Now, additional systems are needed (Step 10) to find the overall conversion of oxygen.

ṅ 1 , O − ṅ 6 , O ©zyBooks 11/22/23 23:24 1858759

2 2
f Overall , O = Enoch Tamale
2 ṅ 1 , O UBCCHBE241BagherzadehFall2023
2

Returning to Step 3, the next system after the reactor is the separator. The separator
represents a non-reacting, continuous process, so mole balances are appropriate again.
Since the overall conversion of oxygen is the goal, only the balances and equations for
oxygen will be needed.

ṅ 3 , O = ṅ 5 , O
2 2

With one equation and one unknown for the separator system, this system can also be
solved (Step 9). Additional systems are still needed to find the overall conversion of oxygen
(Step 10). The split point dividing Stream 5 into Stream 6 and Stream 7 follows the separator
(Step 3). Mole balances are appropriate again.

ṅ 5 , O = ṅ 6 , O + ṅ 7 , O
2 2 2

An extra equation relates the recycle and purge flow rates, which is applied for the
component oxygen here.

ṅ 7 , O = 0.8 ⋅ ṅ 5 , O
2 2

The component flow rates of oxygen in Streams 6 and 7 are both unknown, and the split
point system has two independent equations. Therefore, the split point system can also be
solved (Step 9). One additional system is needed to find the component flow rate of oxygen
in Stream 1 (Step 10). The mix point combining Streams 1 and 7 into Stream 2 follows the
split point (Step 3). Mole balances are appropriate again (Steps 4, 5, 6).

ṅ 1 , O + ṅ 7 , O = ṅ 2 , O
2 2 2

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Since the component flow rate of oxygen in Stream 1 is the only unknown, Enoch the one mole
Tamale
UBCCHBE241BagherzadehFall2023
balance is all that is needed for solving the mixing point. Finally, no additional systems are
needed to find the overall conversion of oxygen. Moving on to Step 11, the different systems
can be solved and the problem completed.
Returning to the reactor system:
 ṅ 3 , CO = 4 ⋅ ṅ 3 , CO
2

mol
ṅ 3 , CO = 14 s
2

The carbon balance simplifies to one unknown:

mol 3 atom C mol 4 atom C mol 3 atom C

©zyBooks 11/22/23 23:24 1858759
9.5 s ⋅ + 15.5 s ⋅ = 9.5 s ⋅ (1 − f conv) ⋅ + Tamale
Enoch
1 mol P 1 mol B 1 mol P
UBCCHBE241BagherzadehFall2023
mol 4 atom C mol 1 atom C mol 1 atom C
15.5 s ⋅ (1 − f conv) ⋅ + 3.5 s ⋅ + 14 s ⋅
1 mol B 1 mol CO 1 mol CO 2

f conv = 0.194

With the conversions known, two more flow rates are found:

ṅ 2 , B − ṅ 3 , B
f conv =
ṅ 2 , B

mol
ṅ 3 , B = 12.5 s

ṅ 2 , P − ṅ 3 , P
f conv =
ṅ 2 , P

mol
ṅ 3 , P = 7.66 s

Plugging extra equation relating hydrogen and water flow rates into H balance:

mol 8 atom H mol 10 atom H mol 8 atom H

9.5 s ⋅ + 15.5 s ⋅ = 7.66 s ⋅ +
1 mol P 1 mol B 1 mol P
mol 10 atom H 2 atom H 2 atom H
12.5 s ⋅ + ṅ 3 , H ⋅ + 3 ⋅ ṅ 3 , H ⋅
1 mol B 2 1 mol H 2 2 1 mol H 2O

mol
ṅ 3 , H = 5.58 s ©zyBooks 11/22/23 23:24 1858759
2
Enoch Tamale
UBCCHBE241BagherzadehFall2023
Plugging back into extra equation relating hydrogen and water flow rates:

ṅ 3 , H O = 3 ⋅ ṅ 3 , H
2 2

mol
ṅ 3 , H O = 16.8 s
2
Now, the O balance has one unknown:

mol 2 atom O 2 atom O mol 1 atom O

50 s ⋅ = ṅ 3 , O ⋅ + 3.5 s ⋅ +
1 mol O 2 2 1 mol O 2 1 mol CO

mol 2 atom O mol 1 atom O

14 s ⋅ + 16.8 s ⋅
1 mol CO 2 1 mol H 2O
©zyBooks 11/22/23 23:24 1858759
mol Enoch Tamale
ṅ 3 , O = 25.9 s UBCCHBE241BagherzadehFall2023
2

mol
ṅ 2 , N = ṅ 3 , N = 575 s
2 2

With the seven component flow rates exiting the reactor found, the oxygen component flow
rates for the three subsequent systems can be calculated. Finally, the overall conversion of
oxygen is calculated. For the separator:

ṅ 3 , O = ṅ 5 , O
2 2

mol
ṅ 5 , O = 25.9 s
2

Then the split:

ṅ 5 , O = ṅ 6 , O + ṅ 7 , O
2 2 2

ṅ 7 , O = 0.8 ⋅ ṅ 5 , O
2 2

ṅ 6 , O = 0.2 ⋅ ṅ 5 , O
2 2

mol
ṅ 7 , O = 20.7 s
2

mol
ṅ 6 , O = 5.18 s
2

Finally, the component flow rate of oxygen in Stream 1 can be calculated from the mix point
system: ©zyBooks 11/22/23 23:24 1858759
Enoch Tamale
UBCCHBE241BagherzadehFall2023
ṅ 1 , O + ṅ 7 , O = ṅ 2 , O
2 2 2

mol
ṅ 1 , O = 29.3 s
2

The overall conversion of oxygen can now be calculated:

 ṅ 1 , O − ṅ 6 , O
2 2
f Overall , O =
2 ṅ 1 , O
2

f Overall , O = 0.823 or 82.3%

2

Step 12. The calculations can be checked using any overall atom balance.
©zyBooks 11/22/23 23:24 1858759
Finally, the concept question asks: The ratio of carbon dioxide to carbon monoxide increases
Enoch Tamale
UBCCHBE241BagherzadehFall2023
by 25%. Will the number of moles of fuel reacting by complete combustion increase,
decrease, or stay the same?

Increasing the ratio of carbon dioxide to carbon monoxide by 25% changes the extra
equation to: ṅ 3 , CO = 5 ⋅ ṅ 3 , CO. The flow rate of carbon monoxide in Stream 3 does not
2
change in the concept question, so more carbon dioxide will be present in Stream 3
compared to the original problem statement. And carbon dioxide is created by the complete
combustion reaction by definition, so the number of moles of fuel reacting by complete
combustion will increase.

PARTICIPATION
ACTIVITY
3.8.3: Reaction recycle.

Using the example above, answer the following questions.

1) Identify the purge stream from the PFD.

Stream 7
Stream 2
Stream 6

2) The overall conversion of oxygen was

found to be 82.3% after several
iterations through the 12 steps. Now,
calculating the single pass conversion
of oxygen (%) gives _____.
48.2%
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82.3% Enoch Tamale
UBCCHBE241BagherzadehFall2023
50.0
 3) Calculate the overall conversion of
propane (%).
100%
54.6%
38.0%

4) Another concept question asks: The ©zyBooks 11/22/23 23:24 1858759

Enoch Tamale
ratio of carbon dioxide to carbon UBCCHBE241BagherzadehFall2023
monoxide increases by 25%, which is
the same as the concept question in
the example. Now, will the number of
moles of fuel reacting by partial
combustion increase, decrease, or stay
the same?
Increase
Decrease
Stay the same

fitness_center EXERCISE 3.8.1: Acetylene reaction and recycle. help_outline

Acetylene (C2H2), a gas used for welding, is converted into ethanol (C2H6O) and butanol (C4H10O).
A fresh feed of acetylene, H2, and O2 is combined with a recycle stream and is fed to a reactor
where the following fractional conversions are achieved: acetylene conversion = 0.750, hydrogen
conversion = 0.900, and oxygen conversion = 1.00. The reactor effluent contains the two
products, unreacted components, and CO2. While the reactor effluent contains 1.10 moles CO2
per 1.00 moles ethanol, the stoichiometry of the reactions is unknown. The reactor effluent is sent
to a separator where all of the CO2 leaves as a gas. The remaining components are sent to a
second separation unit. The bottoms stream of this unit contains all of the ethanol and butanol
products. The process produces 140 mol/min of ethanol and 60.0 mol/min of butanol.

(a) Draw and label a process flow diagram. Clearly number each stream.
Solution keyboard_arrow_down
©zyBooks 11/22/23 23:24 1858759
(b) Enoch
Calculate the molar flow rates (mol/min) of each component exiting the Tamale
reactor.
UBCCHBE241BagherzadehFall2023
Solution keyboard_arrow_down
(c) Calculate the molar flow rates (mol/min) of each component in the fresh feed.
Solution keyboard_arrow_down
 (d) A purge stream is now added, which removes some of the flow from the recycle stream. Will
the overall conversion of acetylene increase, decrease or stay the same?
Solution keyboard_arrow_down

fitness_center EXERCISE 3.8.2: Ethane reaction with purge. help_outline

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Enoch Tamale
The reaction CH4 + C3H8 → 2C2H6 is very fast and reaches thermodynamic equilibrium in the
UBCCHBE241BagherzadehFall2023
reactor. The equilibrium constant for the reactor is 15.2. The feed to the reactor (not the fresh
feed to the process) enters at 106 mol/hr and contains mole fractions of 0.332 CH4, 0.538 C3H8
and the balance Inerts (I). The reactor effluent is sent to a distillation column where pure C2H6
comes out the bottom and the remaining components leave the top of the column. Five percent
of the stream leaving the top of the distillation column is purged and the rest is recycled.

(a) Draw and label a process flow diagram. Clearly number each stream.
Solution keyboard_arrow_down
(b) Calculate the molar flow rates (mol/hr) and mole fractions of both streams exiting the
distillation column.
Solution keyboard_arrow_down
(c) Calculate the molar flow rate (mol/hr) and mole fractions of the fresh feed stream.
Solution keyboard_arrow_down
(d) The equilibrium constant drops by 25%. Will the extent of reaction increase, decrease or stay
the same?
Solution keyboard_arrow_down

CHALLENGE
ACTIVITY
3.8.1: Butanol reaction with recycle.

495688.3717518.qx3zqy7

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Enoch Tamale
3.9 Reacting system problems UBCCHBE241BagherzadehFall2023

Additional problems involving reacting systems

CHALLENGE
ACTIVITY
 3.9.1: Reacting systems vocabulary.

Select the term that best matches the following:

495688.3717518.qx3zqy7

CHALLENGE ©zyBooks 11/22/23 23:24 1858759

ACTIVITY
3.9.2: Biomass gasification reactor. Enoch Tamale
UBCCHBE241BagherzadehFall2023
495688.3717518.qx3zqy7

CHALLENGE
ACTIVITY
3.9.3: Butane and excess air combustion.

495688.3717518.qx3zqy7

CHALLENGE
ACTIVITY
3.9.4: Parallel reactions with acetic acid.

495688.3717518.qx3zqy7

CHALLENGE
ACTIVITY
3.9.5: Ethanol complete and partial combustion.

495688.3717518.qx3zqy7

CHALLENGE
ACTIVITY
3.9.6: Hexane combustion with excess oxygen.

495688.3717518.qx3zqy7

CHALLENGE
ACTIVITY
3.9.7: Fermentation of sugars reactor.

495688.3717518.qx3zqy7
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Enoch Tamale
UBCCHBE241BagherzadehFall2023
CHALLENGE
ACTIVITY
3.9.8: Competing ethanol reactions.

495688.3717518.qx3zqy7

CHALLENGE
ACTIVITY
 3.9.9: Ammonia reactor with equilibrium.

495688.3717518.qx3zqy7

CHALLENGE
ACTIVITY 3.9.10: Reactor with recycle - propanol combustion.
©zyBooks 11/22/23 23:24 1858759
495688.3717518.qx3zqy7 Enoch Tamale
UBCCHBE241BagherzadehFall2023

CHALLENGE
ACTIVITY 3.9.11: Reactor with recycle - hydrocarbon equilibrium.

495688.3717518.qx3zqy7

CHALLENGE
ACTIVITY 3.9.12: Reactor with recycle of mixed hydrocarbon fuel.

495688.3717518.qx3zqy7

©zyBooks 11/22/23 23:24 1858759

Enoch Tamale
UBCCHBE241BagherzadehFall2023