Chemical Engineering Department

CBB REACTION ENGINEERING CHAPTER 1: MOLE BALANCES (part 1)

OBJECTIVES OF CHAPTER 1
1. Define the rate of chemical reaction

2. Apply the mole balance equation to batch reactor,

CSTR, PFR and PBR

3. Distinguish the difference between different types

of reactor system

Learning objectives
LECTURE LEARNING OBJECTIVES

At the end of Lecture 1, students should be able to: 1. define chemical identity 2. define reaction rate 3. describe the different types of industrial reactors 4. describe the general mole balance equation 5. apply the mole balance equation for different reactor types

OVERVIEW ON REACTION ENGINEERING

Why do you need to study REACTION ENGINEERING??

OVERVIEW ON REACTION ENGINEERING

REACTOR RAW MATERIALS

PHYSICAL TREATMENT STEP

CHEMICAL TREATMENT STEP

PHYSICAL TREATMENT STEP

RECYCLE

PRODUCTS

OVERVIEW ON REACTION ENGINEERING

Fluid mechanics Chemical kinetics Heat transfer Mass transfer

Thermodynamics

Reactor Design

Economics

OVERVIEW ON REACTION ENGINEERING

INPUT

REACTOR

OUTPUT

PERFORMANCE EQUATION Equation relating input to output

KINETICS How fast a reaction occur i.e. reaction rate

CONTACTING PATTERN How materials flow into reactor Mixing pattern RTD of reactor

Some examples on reaction processes

Petrochemical processes (BASF)

Some examples on reaction processes

Steam cracking unit

Some examples on reaction processes

Olefins process route (UOP)

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Some examples on reaction processes

Ammonia production unit

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Some examples on reaction processes

Aromatics production

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AN OVERVIEW
CATALYTIC REACTION NON-IDEAL REACTOR HEAT EFFECTS MULTIPLE REACTION SYSTEM DATA ANALYSIS ISOTHERMAL REACTOR DESIGN STOICHIOMETRY

MOLE BALANCE

CHEMICAL REACTION ENGINEERING

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RATE LAWS

Chemical Identity
Determined by the kind, number and configuration of the species atom
H
C CH3 Cis-2-butene C CH3 CH3 Trans-2-butene H

H
C C

CH3

Considered as 2 different species due to the different configuration even when the numbers of atoms of elements are the same

Chemical Identity
Changed in number of atoms Changed in structure Changed in atom configuration

REACTION OCCURRED Isomerisation

C2 H 5CH CH 2

Decomposition
CH 3CH 3 H 2 H 2C CH 2

Combination
N 2 O2 2 NO

CH 2 C CH 3 2

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Reaction rate, -rA

CONVERSION RATE CHEMICAL SPECIES A CHEMICAL SPECIES B

Reaction rate indication on how fast a number of moles of one chemical species being consumed to form another chemical species (of different chemical identity)

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Reaction rate, -rA

Defined as the rate at which a chemical species

reacts (or formed) per unit volume

Express as:

Rate of reactant disappearance

Rate of product formation

Reaction rate, -rA

Example:

A B
Rate of reaction is given by: -rA = rate of disappearance of A rB = rate of formation of B
For heterogeneous reaction, rate of reaction is express in
terms of catalyst volume or catalyst weight

Reaction rate, -rA

Rate equation is an algebraic equation

Rate equation is an intensive properties depends on

concentration, temperature, pressure, or type of catalyst, if any, present in a system Rate equation is not influence by type of reactor used!!
NOTE: dCA/dt is not the definition for reaction rate

Reaction rate, -rA

Example: Is NaOH reacting?

CSTR - operated at steady state; inlet flow rate = outlet flow rate Perfectly well mixed system; concentration of samples taken at 10 a.m is the same as concentration taken at 5 p.m Therefore: dCA/dt = 0

Does this mean that -rA = 0; i.e.

no reaction occurs?

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Reaction rate, -rA

Example: Is NaOH reacting?

CSTR - operated at steady state; inlet flow rate = outlet flow rate Perfectly well mixed system; concentration of samples taken at 10 a.m is the same as concentration taken at 5 p.m Therefore: dCA/dt = 0

Does this mean that -rA = 0; i.e.

no reaction occurs?

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SELF TEST
Consider the reaction

A + 2B C
in which the rate of disappearance of A is 5 moles of A per dm3 per second at the start of the reaction. At the start of the reaction (a) What is the rate of disappearance of A?

(b) What is the rate of disappearance of B?

(c) What is the rate of formation of C?
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Types of Reactor:
1. Batch reactor

2. Continuous-Stirred Tank Reactor (CSTR)

3. Plug Flow Reactor (PFR) or Tubular Reactor 4. Packed Bed Reactor (PBR)

Industrial reactors

Types of reaction

Liquid phase reaction

Batch / Semi batch reactor CSTR PFR

Gas phase reaction

Tubular reactor

Packed bed reactor

Different types of reactor

1) Batch reactor

Physical shape: Tank Used for:

small scale operation process that is not suitable for continuous operation.

Advantage:
High conversion longer residence time

Disadvantage
High cost Product variability Not for large-scale operation

Different types of reactor:

2) Continuous-Stirred Tank Reactor (CSTR)

Physical shape: Tank Continuous Flow, Steady state, Perfectly mixed Used for:
Liquid phase reaction process that is suitable for continuous operation.

Advantage:
Continuous operation

Disadvantage
Not for non-ideal mixing

Different types of reactor:

3) Plug Flow Reactor (PFR)

Physical shape: Cylindrical pipe Continuous Flow, Steady state, Perfectly mixed Used for:
Gas phase reaction

Reaction rate varies axially NOT radially.

Reactant
Product

Different types of reactor

4) Packed Bed Reactor (PBR)

Physical shape: Cylindrical Continuous Flow, Steady state, Perfectly mixed Used for: Fluid-solid heterogeneous reaction (catalyst)

Reactant

Product

Photos of real reactor systems

Batch reactor

Photos of real reactor systems

CSTR

Photos of real reactor systems

PFR

General Mole Balance Equation

Number of moles of species A in a system

For species A:

Any REACTOR with volume V

Rate of generation of species A in a system

General Mole Balance Equation

FA0

dN A FA G A dt
V

FA0 FA

dN A rA dV dt

Mole Balance For Different Reactor Type

Batch reactor

dN A rAV dt
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Mole Balance For Different Reactor Type

Continuous stirred tank reactor (CSTR)

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Mole Balance For Different Reactor Type

Plug Flow Reactor (PFR)

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Mole Balance For Different Reactor Type

Packed Bed Reactor (PBR)

-rA = mol A reacted time. mass of catalyst

SUMMARY
Reactor Batch
rAV

Mole Balance
dN A dt

Remarks Well mix, no spatial variation, unsteady state Well mix, no spatial variation, steady state Steady state

CSTR

PFR

PBR

Steady state

EXAMPLE
Example 1-1: How large is it?

Consider the reaction: AB (first order reaction)

The reaction is carried out in a tubular reactor with constant volumetric flow rate.

1. Derive the equation to relate the reactor volume to the entering and exiting concentration of A, the rate constant, k, and the volumetric flow rate, v. 2. Determine the reactor volume required to reduce the exit concentration to 10% of the entering concentration. Data: volumetric flow rate = 10 dm3/min, k = 0.23 min-1
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EXAMPLE
Reaction: AB

Data : Isothermal, liquid phase Inlet molar flow rate = 5 mol/hr Inlet volumetric flow rate: 10 dm3/hr -rA = kCA2 with k = 3 dm3/mol.h Calculate the volume of required to consume 99.9% of reactant A for operation in a CSTR

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Formative assessment 1
Problem The irreversible liquid phase second order reaction is carried out in a CSTR. The entering concentration of A, CA0, is 2 molar and the exit concentration of A, CA is 0.1 molar. The entering and exiting volumetric flow rate, vo, is constant at 3 dm3/s. What is the corresponding reactor volume?

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Formative assessment 2
Reaction: A B+C

Data: a. Isothermal, liquid phase reaction

b. First order reaction, with k = 0.865 min-1 c. Reactor: Well mixed batch reactor of 20dm3 volume d. 20 moles of pure A is placed in the reactor initially Calculate the time necessary to reduce the number of moles of A

in the reactor to 0.2 mol.

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END OF LECTURE

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