Chemical Reaction Engineering

Course Code: CHE 331

Course Cr. Hrs.: 4(3,1)
Course Instructor:
Dr. Muhammad Haris Hamayun
Assistant Professor,
Department of Chemical Engineering,
COMSATS University Islamabad, Lahore Campus.
Contact Email: mhhamayun@cuilahore.edu.pk
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 Course Contents

Kinetics of homogeneous reactions: rate of reaction, variables affecting the rate of

reaction, order of reaction, rate constant; searching for a mechanism of reaction,
activation energy and temperature dependency. Interpretation of batch reactor data for
single and multiple reactions. Integral method and differential method of analysis for
constant volume and variable volume batch reactors, search for a rate equation. Design
of homogeneous reactors, Batch, Mixed flow, Plug flow reactors, Comparison of single
reactor, multiple reactor systems in parallel/series. Temperature and pressure effects.
Adiabatic and non-adiabatic operations. Surface phenomenon and catalysis,
Heterogeneous reaction systems, rate equations for heterogeneous reactions, fluid
particle reactions, determination of rate controlling steps. Catalysis desorption
isotherms, kinetics of solid catalyzed reactions. Catalyst deactivation and regeneration.
Design of fluid-solid catalytic reactors.

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 Recommended Books

1) H. Scott Fogler, Elements of Chemical Reaction Engineering, 5th edition, Prentice

Hall, 2016.

2) Octave Levenspiel, Chemical Reaction Engineering, 3rd edition, Wiley India Pvt.
Limited, 2006.

3) Elsie Perkins, Chemical Reaction Engineering, WILLFORD Press, 2022.

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 CLOs and Mapping with PLOs

Understand • Describe the fundamentals of chemical reaction

(C2, PLO1) engineering.

Apply • Apply the fundamentals of chemical reaction

(C3, PLO1) engineering.

Analysis • Analyze the kinetic data using different methods of

(C4, PLO2) data analysis.

Design • Design isothermal and nonisothermal reactors (e.g.,

(C6, PLO3) Batch, CSTR, PFR, PBR etc.)

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 OBE in a Nutshell

◼ What do you want the students to have or able

to do? ◼ Knowledge, Skill, Affective

◼ How can you best help students achieve it?

◼ Student Centred Delivery

◼ How will you know what they have achieved it?

◼ Assessment

◼ How do you close the loop

◼ Plan, Do, Check, Act (PDCA)
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 Today’s Course Coverage (CLO # 2, 3 and 4)

• Chapter # 5: Isothermal Design

❖ Continuous Stirred Tank Reactor

❖ CSTRs in Series

❖ CSTRs in Parallel

❖ Example # 5.2

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Recap from Lecture # 12 and 13

Mole Balance

Combine
Evaluate

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 CSTRs in Series

A first-order reaction with no change in the

volumetric flow rate (𝑣 = 𝑣0 ) is to be carried out in
two CSTRs placed in series.

CA0
CA1 =
1 + τ1 k1
Applying mole balance on Reactor-2
FA1 − FA2 𝑣0 (CA1 − CA2 )
V2 = =
−rA2 kCA

CA1 CA0
CA2 = =
1 + τ2 k 2 (1 + 𝜏1 k1 )(1 + 𝜏2 k 2 )
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 CSTRs in Series

If both reactors are of equal size and operate at the same temperature:

CA1 CA0 CA0

CA2 = = =
1 + τ2 k 2 (1 + 𝜏1 k1 )(1 + 𝜏2 k 2 ) (1 + 𝜏k)2

For n number of reactors (equal size), connected in series (at the same temp):

CA0 CA0 1 1
CAn = n
= X=1− ≡1−
(1 + 𝜏k) (1 + Da)n 1 + Da1 n (1 + 𝜏k)n

CA0 kCA0
CA0 (1 − X) = −rA = kCAn =
(1 + Da)n (1 + 𝜏k)n
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X = function (number of reactors)

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 CSTRs in Parallel

Xi
Vi = FA0i
−rAi

X1 = X 2 = ⋯ = X n = X

−rA1 = −rA2 = ⋯ = −rAn = −rA

The volume of each individual reactor (Vi) is linked to the total

reactor volume (V), and similar relationship exist for molar
flowrates (FA0):

V FA0
Vi = FA0i =
n n 11
 CSTRs in Parallel

V FA0 Xi
=
n n −rAi

Xi FA0 X
V = FA0 =
−rAi −rA

The conversion achieved in any one of the reactors in parallel is

identical to what would be achieved if the reactant were fed in one
stream to one large reactor of volume V.

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Example # 5.2: CSTR Design

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Calculation of FC and FA0

lbm 1y 1d 1h g 1mol
FC = 2 × 108 × × × × 454 ×
y 365 d 24 h 3600 s lbm 62g

mol
FC = 46.4
s
FC = FA0 X
For 80% conversion

FC 46.4 mol
FA0 = = = 58
X 0.8 s

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 Applying Algorithm on Single CSTR
1) Mole Balance 4) Combine

FA0 X 𝑣0 CA0 X 𝑣0 X
V= V= =
−rA kCA0 (1 − X) k(1 − X)

2) Rate Law 5) Evaluate

FA0 58 dm3
−rA = kCA 𝑣A0 = = = 3.6 = 𝑣B0
CA0 16.1 s
3) Stoichiometry g 1 mol
FB0 = 𝑣B0 CB0 = 3.62 × 1000 3
×
dm 18 g
For Liquid phase, 𝒗 = 𝒗𝟎
mol
FA FA0 (1 − X) FB0 = 201
CA = = = CA0 (1 − X) s
𝑣 𝑣0 15
 Evaluation of Single CSTR
dm3
𝑣0 = 𝑣A0 + 𝑣B0 = 3.62 + 3.62 = 7.2
s

k = 0.311 min−1 = 0.0052 s −1

𝑣0 X (7.2)(0.8)
V= =
k(1 − X) (0.311)(0.2)

V = 5538 dm3 = 5.538 m3 = 197 ft3 = 1463 gal

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 b) CSTR in Parallel
𝑣0 CA0 X 𝑣0 X
V= =
kCA0 (1 − X) k(1 − X) V 3.785dm3 1
𝜏= = 800 gal × × = 836.5 sec
v0 /2 gal 3.62dm3/s
𝜏k
X=
1 + 𝜏k

Da1 = 𝜏k1 = 836.5 × 0.0052 = 4.35

Da1 4.35
X= = = 0.81
1 + Da1 1 + 4.35

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c) CSTR in Series – Reactor # 1
𝜏1 k
X=
1 + 𝜏1 k

V 3.785dm3 1
𝜏= = 800 gal × × = 418.2 sec
v0 gal 7.24dm3/s

Da1 = 𝜏1k = 418.2 × 0.0052 = 2.167

Da1 2.167
X1 = = = 0.684
1 + Da1 1 + 2.167

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 c) CSTR in Series – Reactor # 2
Recall the reactor in series FA0 (X2 − X1 ) V1 = V2 = V 𝑣01 = 𝑣02 = 𝑣
derivation for Reactor # 2 V=
−rA2 𝜏1 = 𝜏2 = 𝜏
(Chapter 2)

Method # 1 Method # 2

FA2 FA0 1 − X 2 1 1
−rA2 = kCA2 =k =k = kCA0 (1 − X 2 ) X=1− n ≡1−
𝑣0 𝑣0 1 + Da1 (1 + 𝜏k)n

FA0 (X 2 − X1 ) 𝑣0 CA0 (X 2 − X1 ) 𝑣0 (X 2 − X1 ) 1
V= = = X2 = 1 − 2
−rA2 kCA0 (1 − X 2 ) k(1 − X 2 ) 1 + Da1

X1 + Da1 0.684 + 2.167 1

X2 = = = 0.90 X2 = 1 − 2 = 0.90
1 + Da1 1 + 2.167 1 + 2.167
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Comparison

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 Today’s Course Coverage (CLO # 2, 3 and 4)

• Chapter # 5: Isothermal Design

❖ Tubular Reactor

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 Tubular Reactors

• Gas-phase reactions are carried out primarily in tubular reactors where the flow is
generally turbulent.

• By assuming that there is no dispersion and there are no radial gradients in either
temperature, velocity, concentration, or reaction rate, we can model the flow in the
reactor as plug flow.

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 Design Equation for Tubular Reactors

For Pressure Drop/Heat Exchange No Pressure Drop/Heat Exchange

X
dX dX
FA0 = −rA V = FA0 න
dV 0 −rA

Assume: 2A → Products

Rate Law

−rA = kCA2

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 Liquid Phase (𝒗 = 𝒗𝟎 )
dX −rA kCA2 FA0 X dX
= = V= 2 න (1 − X)2
dV FA0 FA0 kCA0 0

3) Stoichiometry 𝑣0 X
V=
kCA0 1 − X
FA FA0 (1 − X)
CA = = = CA0 (1 − X)
𝑣 𝑣0 5) Evaluate

4) Combine
V 1 X
𝜏= =
𝑣0 kCA0 1 − X
2
dX −rA kCA0 (1 − X)2
= =
dV FA0 FA0 τkCA0 Da2
X= =
1 + τkCA0 1 + Da2
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 𝐏𝟎 𝐓
Gas Phase, 𝒗 = 𝒗𝟎 𝟏 + 𝛆𝐗
𝐏 𝐓𝟎
3) Stoichiometry

FA FA0 (1 − X) 1−X For isothermal

CA = = = CA0 conditions and no
𝑣 P0 T 1 + εX
𝑣0 1 + εX pressure drop
P T0

4) Combine

2 2
dX −rA kCA0 (1 − X)2 𝑣0 X
1 + εX
= = V= න dX
dV FA0 𝑣0 CA0 (1 + εX)2 kCA0 0 1 − X

5) Evaluate

𝑣0 (1 + ε) 2X
V= 2ε 1 + ε ln 1 − X + ε2 X +
kCA0 1−X 25
 Effect of 𝛆 on conversion
P0 T
𝑣 = 𝑣0 1 + εX
P T0

For isothermal operation and no pressure drop:

𝑣 = 𝑣0 1 + εX

Case # 1: No change in number of moles (δ = 0 and ε = 0):

The fluid moves through the reactor at a constant volumetric flow rate (𝑣 = 𝑣0 ) as the
conversion increases.

Case # 2: Decrease in number of moles (δ < 0 and ε < 0):

The volumetric gas flow rate decreases and the conversion increases. The gas molecules will
spend more time in the reactor than they would if the flow rate were constant.
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 Effect of 𝛆 on conversion
Case # 3: Increase in number of moles (δ > 0 and ε > 0):
Then the volumetric flow rate will increase as the conversion increases. The molecules will
spend less time in the reactor than they would if the volumetric flow rate were constant.

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