CEB 2043

REACTION ENGINEERING I
Chapter 01: Mole Balances

AQSHA
UNIV. TEKNOLOGI PETRONAS, MALAYSIA
AQSHA@UTP.EDU.MY
SEPTEMBER 2020

Image: Fiverr
SYLLABUS & TIMELINE

WEEK TOPIC ASSESSMENT NOTE

1 Chapter 0: Introduction to reaction engineering
2 Chapter 1: Introduction & mole balances Assignment 1
3 Chapter 2: Conversion and reactor sizing Quiz 1 Pop-Up
4 Chapter 3: Rate laws and stoichiometry Test 1 Will be scheduled
5 Chapter 4: Isothermal Reactor design – Batch & CSTR
6 Chapter 4: Isothermal Reactor design – PFR & PBR Assignment 2
7 Chapter 5: Collection & analysis of rate data Quiz 2 Pop-Up
8 Chapter 6: Multiple reactions - Introduction Test 2 Will be scheduled
9 Chapter 6: Multiple reactions – Series and Parallel
10 Chapter 8: Steady state non-isothermal reactor design Integrated Project Reactor Design
11 Chapter 10: Catalysis & Catalytic Reactor
12 Review – Study Week – Final Exam Prep Project Submission
REACTION ENGINEERING

Heat Effects
Isothermal Design

Stoichiometry
Rate Laws
Mole Balance

CRE Algorithm
CHAPTER 01 – INTRODUCTION & MOLE BALANCES

1. Introduction (chemical species & reaction rate)

2. Definitions of Rate of Reaction
3. General Mole Balance Equation
▪ Batch (BR)
▪ Continuously Stirred Tank Reactor (CSTR)
▪ Plug Flow Reactor (PFR)
▪ Packed Bed Reactor (PBR)

These materials is adapted from Fogler: Essential of Chemical Reaction Engineering

INTRODUCTION: CHEMICAL IDENTITY

The identity of a chemical species is determined by the kind, number, and

configuration of that species’ atoms.
A chemical species is said to have reacted when it has lost its chemical identity.

These materials is adapted from Fogler: Essential of Chemical Reaction Engineering

CHEMICAL REACTION

A chemical species is said to have reacted when it has lost its chemical identity.
There are three ways for a species to loose its identity:

1. Decomposition CH3CH3 → H2 + H2C=CH2

2. Combination N2 + O2 → 2 NO
3. Isomerization CH2=CHC2H5 → CH2=C(CH3)2

Ex. Video: Reaction of Magnesium with Dry Ice

http://www.youtube.com/watch?v=wqErrNvns4o

These materials is adapted from Fogler: Essential of Chemical Reaction Engineering

CHEMICAL REACTION

These materials is adapted from Cambridge College

RATE OF REACTION

The reaction rate is the rate at which a species looses its chemical identity per
unit volume.

The rate of a reaction (mol/dm3/s) can be expressed as either:

• The rate of Disappearance of reactant : -rA
• The rate of Formation (Generation) of product : rP

Consider the isomerization

A→B
rA = the rate of formation of species A per unit volume
-rA = the rate of a disappearance of species A per unit volume
rB = the rate of formation of species B per unit volume
DEFINITION- RATE OF REACTION

The reaction rate is the rate at which a species looses its chemical identity per unit volume.
The unit of reaction rate is mol/dm3/s

The rate of a reaction can be expressed as either:

The rate of disappearance of reactant: -rA
The rate of formation (generation) of product: rP

Consider the isomerization reaction A → B where A is the reactant and B is the product.
The rate of formation of species A per unit volume can be written as rA
The rate of a disappearance of species A per unit volume can be written as -rA
The rate of formation of species B per unit volume can be written as rB
These materials is adapted from Fogler: Essential of Chemical Reaction Engineering
DEFINITION- RATE OF REACTION

EXAMPLE:
A reaction of A→B

If species B is being formed at a rate of 0.2 moles per decimeter cubed per
second, i.e.,

These materials is adapted from Fogler: Essential of Chemical Reaction Engineering

DEFINITION- RATE OF REACTION

Consider species j:
rj is the rate of formation of species j per unit volume [e.g. mol/dm3s]
rj is a function of concentration, temperature, pressure, and the type of catalyst
(if any)
rj is independent of the type of reaction system (batch, plug flow, etc.)
rj is an algebraic equation, not a differential equation
(e.g. -rA = kCA or -rA = kCA2)

These materials is adapted from Fogler: Essential of Chemical Reaction Engineering

DEFINITION- RATE OF REACTION

For a catalytic reaction, we refer to -rA', which is the rate of disappearance of

species A on a per mass of catalyst basis. (mol/gcat/s)

NOTE: dCA/dt is not the rate of reaction

These materials is adapted from Fogler: Essential of Chemical Reaction Engineering

GENERAL MOLE BALANCES
System
Volume
,V
Fj0 Gj Fj

In − Out + Generation = Accumulation

dN A
FA0 − FA +  r dV
A =
dt
FA0 = Entering molar flow rate of A (mol/time) [mol/s]
FA = Exiting molar flow rate of A (mol/time) [mol/s]
GA = Rate of generation(formation) of A (mol/time) [mol/s]
V = Volume of the system (vol) [m3 or L]
rA = Rate of generation(formation) of A (mol/vol•time) [mol/L.s]
NA = Moles of A inside the system Volume V (mol) [mol]
CHAPTER 01 – INTRODUCTION & MOLE BALANCES

1. Introduction (chemical species & reaction rate)

2. General Mole Balance Equation
▪ Batch (BR)
▪ Continuously Stirred Tank Reactor (CSTR)
▪ Plug Flow Reactor (PFR)
▪ Packed Bed Reactor (PBR)

These materials is adapted from Fogler: Essential of Chemical Reaction Engineering & Levenspiel: Chemical Reaction Engineering
Figure: Fogler: Essential of Chemical Reaction Engineering
GENERATION OF SPECIES j

G j = r jV
G j1 = rj1V1

These materials is adapted from Fogler: Essential of Chemical Reaction Engineering & Levenspiel: Chemical Reaction Engineering
Figure: Adapted from Fogler: Essential of Chemical Reaction Engineering
GENERAL MOLE BALANCE OF SPECIES A
𝑀𝑜𝑙 𝑜𝑓 𝐴 𝑀𝑜𝑙 𝑜𝑓 𝐴 𝑮𝒆𝒏𝒆𝒓𝒂𝒕𝒊𝒐𝒏 𝑨𝒄𝒄𝒖𝒎𝒖𝒍𝒂𝒕𝒊𝒐𝒏
𝒊𝒏 − 𝒐𝒖𝒕 + 𝑚𝑜𝑙 𝑜𝑓 𝐴 = 𝑚𝑜𝑙 𝑜𝑓 𝐴
𝑝𝑒𝑟 𝑢𝑛𝑖𝑡 𝑡𝑖𝑚𝑒 𝑝𝑒𝑟 𝑢𝑛𝑖𝑡 𝑡𝑖𝑚𝑒 𝑝𝑒𝑟 𝑢𝑛𝑖𝑡 𝑡𝑖𝑚𝑒 𝑝𝑒𝑟 𝑢𝑛𝑖𝑡 𝑡𝑖𝑚𝑒

𝑑𝑁𝐴
𝐹𝐴0 − 𝐹𝐴 + න 𝑟𝐴 𝑑𝑉 =
𝑑𝑡

𝐹𝐴0 = Entering molar flow rate of A (unit mol/unit time) [mol/s]

𝐹𝐴 = Exiting molar flow rate of A (unit mol/unit time) [mol/s]
𝐺𝐴 = Rate of generation(formation) of A (unit mol/unit time) [mol/s]
𝑉 = Volume of the system (unit volume) [m3 or L]
𝑟𝐴 = Rate of generation(formation) of A (unit mol/unit volume•unit time) [m3 or L]
𝑁𝐴 = Moles of A inside the system Volume V (unit mol) [mol]

These materials is adapted from Fogler: Essential of Chemical Reaction Engineering & Levenspiel: Chemical Reaction Engineering
Figure: Adapted from Fogler: Essential of Chemical Reaction Engineering
MOLE BALANCE SUMMARY
MOLE BALANCE OF BATCH REACTOR

dN A
FA 0 − FA +  rA dV =
dt
FA 0 = FA = 0

dN A Well-Mixed
 FA0 − FA +  rA dV =
dt

 r dV = r V
A A

NA
dN A dN A
= rAV t= 
dt N A0
− rAV
MOLE BALANCE OF CSTR

dN A
FA 0 − FA +  rA dV =
dt

Steady State dN A
=0 FA0 − FA v0C A0 − v C A
 dt V= =
− rA − rA
Perfect mixing
 r dV = r V
A A
MOLE BALANCE OF PFR

dN A
FA0 − FA +  rA dV =
dt

dN A dFA
Steady State =0 0− = −rA
dt dV

dFA
FA
dFA
dV
= rA V= 
FA 0
rA
MOLE BALANCE OF PBR
W

FA FA

W W + W
 
FA (W ) − FA (W + W ) + rA W =
dN A
dt
dN A FA W + W − FA W
Steady State =0 lim = rA
dt W →0 W
FA
dFA
dFA
= rA W=  rA
dW FA 0
© 2020 INSTITUTE OF TECHNOLOGY PETRONAS SDN BHD
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