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Reactor Design

Course Syllabus

Convener: Dr Chan Yi Jing

Reactor Design Course Syllabus Convener: Dr Chan Yi Jing H83RED Yi-Jing.Chan@nottingham.edu.my Lectures: 2-hour Lecture

H83RED

Yi-Jing.Chan@nottingham.edu.my

Lectures: 2-hour Lecture and 1-hour Example class per week Tuesday, 11-1 pm @ F1A15 Thursday, 4-5 pm @ F3A12

Assessment: 10% quizzes; 20% coursework; 70% final exam (two hours)

Aims:

To learn how to apply the fundamental principles of chemical kinetics, along with heat and

mass transfer transport, to the design of chemical reactors for both homogenous and heterogeneous cases. Emphasis will be placed on developing basic concepts which will then be used to analyze problems of increasing sophistication including non-isothermal and catalytic reactors.

Reactor Design

Reactor Design H83RED Course Structure The course is made of 8 topics, which are detailed as

H83RED

Course Structure The course is made of 8 topics, which are detailed as below. The course consists of lectures, which will include problem solving, tutorials, and a week long game based on designing a reactor. Problems are to be worked primarily at home by the students. We will closely follow the textbook Fogler, H. Scott. “Elements of chemical reaction engineering” 3rd ed., Prentice

Hall, 2000.

Course Schedule (This might change as we move through the course)

Week 1

Introduction to module, rate of reaction, mole balance

Week 2

Design equations

Week 3

Stoichiometry

Week 4

Stoichiometry

Week 5

Isothermal reactors

Week 6

Isothermal reactors

Week 7

Non-isothermal reactors

Week 8

Non-isothermal reactors

Week 9

Multiple reactions

Week 10 Catalysts and Catalytic reactors Week 11 Catalysts and Catalytic reactors Week 12 Student study

Reactor Design

Learning Outcomes:

Reactor Design Learning Outcomes: H83RED A student who has successfully completed this module will be able

H83RED

A student who has successfully completed this module will be able to:

Perform material balances to derive general reactor design equations

Use the appropriate reaction kinetics in the reactor design equations

Express concentrations and molar flow rate in terms of conversion Perform energy balances for the basic reactor types Use the energy balances for reactor design Calculate the parameters corresponding to optimal reactor design Extend these operations to the case of multiple reactions and reactor sequences

Summary:

Combine material balance, rate law, stoichiometry, energy balance for optimal reactor design and operation

Reactor Design

Outline

Reactor Design Outline Outline 1. Introduction 2. The Place of “Reactor Design ” in Chemical Engineering

Outline

1.

Introduction

2.

The Place of “Reactor Designin Chemical Engineering

3.

Type of Reactors: Batch, Continuous

4.

Definition of Rate of Reaction, - r A

5.

The General Mole Balance Equation

6.

Mole Balances for PFR, CSTR, PBR, and Batch Reactors

Reactor Design

Reactor Design Introduction The Place of “Reactor Design ” in Chemical Engineering Physical Chemical Physical

Introduction

The Place of “Reactor Designin Chemical Engineering

Physical Chemical Physical treatment treatment Reactions steps steps Recycle
Physical
Chemical
Physical
treatment
treatment
Reactions
steps
steps
Recycle
treatment treatment Reactions steps steps Recycle Raw Products materials Typical chemical process Chemical

Raw

treatment treatment Reactions steps steps Recycle Raw Products materials Typical chemical process Chemical

Products

materialstreatment Reactions steps steps Recycle Raw Products Typical chemical process Chemical treatment steps are

Reactions steps steps Recycle Raw Products materials Typical chemical process Chemical treatment steps are
Reactions steps steps Recycle Raw Products materials Typical chemical process Chemical treatment steps are

Typical chemical process

Chemical treatment steps are carried out in chemical reactors.

Reactor design based on information, knowledge and experience from a variety of areas:

Thermodynamicsknowledge and experience from a variety of areas: Chemical kinetics Fluid Mechanics Heat Transfer Mass

Chemical kineticsand experience from a variety of areas: Thermodynamics Fluid Mechanics Heat Transfer Mass Transfer Economics

Fluid Mechanicsfrom a variety of areas: Thermodynamics Chemical kinetics Heat Transfer Mass Transfer Economics Knowledge of chemical

Heat Transferof areas: Thermodynamics Chemical kinetics Fluid Mechanics Mass Transfer Economics Knowledge of chemical kinetics and

Mass TransferChemical kinetics Fluid Mechanics Heat Transfer Economics Knowledge of chemical kinetics and reactors design

Economicskinetics Fluid Mechanics Heat Transfer Mass Transfer Knowledge of chemical kinetics and reactors design

Knowledge of chemical kinetics and reactors design distinguishes the chemical engineer from both chemists and other engineers

Reactor Design

Reactor Design Types of Reactor s Batch Reactors Description Reactants are charged into the vessel, react

Types of Reactors

Batch Reactors

Description

Reactor Design Types of Reactor s Batch Reactors Description Reactants are charged into the vessel, react

Reactants are charged into the vessel, react for a specific period of time. Products are discharged after the reaction.

Applicability

Relatively Small Scale (a few thousands of tons per year ) a few thousands of tons per year)

Advantages

High FlexibilitySmall Scale ( a few thousands of tons per year ) Advantages Low Cross- contamination Short

Low Cross- contaminationfew thousands of tons per year ) Advantages High Flexibility Short Period for Reactor Start-up Disadvantages

Short Period for Reactor Start-upyear ) Advantages High Flexibility Low Cross- contamination Disadvantages High demands in manpower Lower efficiency of

Disadvantages

High demands in manpowerShort Period for Reactor Start-up Disadvantages Lower efficiency of services (heating & cooling)

Lower efficiency of services (heating & cooling)Short Period for Reactor Start-up Disadvantages High demands in manpower Complicated automatic control Introduction

Complicated automatic controlReactor Start-up Disadvantages High demands in manpower Lower efficiency of services (heating & cooling) Introduction

Introduction

High demands in manpower Lower efficiency of services (heating & cooling) Complicated automatic control Introduction

Reactor Design

Reactor Design Introduction Types of Reactors Continuous Reactors Reactants Products Description Reactants flow

Introduction

Reactor Design Introduction Types of Reactors Continuous Reactors Reactants Products Description Reactants flow

Types of Reactors

Continuous Reactors

Reactants

Introduction Types of Reactors Continuous Reactors Reactants Products Description Reactants flow continuously into the

Products

Description

Reactants flow continuously into the vessel, and products flow continuously out of the reactor

Applicability

Large Tonnage Production ( tens or hundreds of (tens or hundreds of

thousands tons per year)

Advantages

Steady-State( tens or hundreds of thousands tons per year ) Advantages Operation Lower demands in manpower

Operation

Lower demands in manpowerthousands tons per year ) Advantages Steady-State Operation Easy automatic control Efficient services Disadvantages

Easy automatic controlAdvantages Steady-State Operation Lower demands in manpower Efficient services Disadvantages operation Low flexibility

Efficient servicesOperation Lower demands in manpower Easy automatic control Disadvantages operation Low flexibility Long Start-up High

Disadvantages

operation

Low flexibilityautomatic control Efficient services Disadvantages operation Long Start-up High cost of halting Continuous Stirred Tank

Long Start-upEfficient services Disadvantages operation Low flexibility High cost of halting Continuous Stirred Tank Reactor (CSTR)

High cost of haltingDisadvantages operation Low flexibility Long Start-up Continuous Stirred Tank Reactor (CSTR) Tubular or Packed Bed

Continuous Stirred Tank Reactor (CSTR)

Tubular or Packed Bed Reactor

Reactor Design

Reactor Design Definition of rate of reaction Definition of rate of reaction (Homogeneous reaction systems) Consider

Definition of rate of reaction

Definition of rate of reaction (Homogeneous reaction systems)

Consider the reaction: A  B

Rate of reaction, - r A , is the rate of disappearance of species A per unit volume or it is the number of moles of species A reacted per unit time per unit volume

Rate of reaction, r B , is the rate of formation of species B per unit volume or it is the number of moles of species B formed per unit time per unit volume

- r A = r B

Definition of rate of reaction (Heterogeneous reaction systems)

Units:

moles

volume time

Consider the reaction: A  B over a catalyst

Rate of reaction, - rA , is the number of moles of species A reacted per unit time per unit mass of catalyst (or per unit surface area of catalyst), (or per unit volume of catalyst)

- rA = rB

moles

mass catalyst time

Units:

moles

surface area catalyst time

moles

volume catalyst time

Reactor Design

Source of confusion

A

Reactor Design Source of confusion A Definition of rate of reaction Consider the reaction: A 
Reactor Design Source of confusion A Definition of rate of reaction Consider the reaction: A 

Definition of rate of reaction

Consider the reaction: A  B Constant volume batch reactor

dC  r  A A dt
dC
r
A
A
dt

C

B A Time
B
A
Time
CH 3 COOC 2 H 5 + NaOH  CH 3 COONa + C 2
CH 3 COOC 2 H 5 + NaOH 
CH 3 COONa
+
C 2 H 5 OH
NaOH
CH 3 COOC 2 H 5
Perfect mixing and steady-state operation
result in identical concentration of each
species in any point:
dC A
 0
dt
Wrong for continuous
systems
C 2 H
5 OH
CH 3
COONa
unreacted:
In flow system the differential form :
dC
CH 3 COOC 2 H 5
r
A
NaOH
A
dt
does not represent the rate of reaction

Reactor Design

Reactor Design The rate law The chemical reaction rate: • An intensive quantity • Depends on

The rate law

The chemical reaction rate:

An intensive quantity

Depends on the properties of the reacting materials (concentration, temperature, pressure, type of catalysts) at a point in the system

Independent of the type of system (i.e. batch or continuous flow) in which the reaction is carried out.

Consider the reaction: A  products

Different forms of the dependencies of the reaction rate on concentration:

r kC

A

A

r

A

2

A

kC

r

A

k C

1

A

1k C

2

A

The rate law

The reaction rate is essentially an algebraic equation involving concentration, not a differential equation.

Reactor Design

Reactor Design General Mole Balance Equation Mole balance Main Task of Reactor Design : to determine

General Mole Balance Equation

Mole balance

Main Task of Reactor Design: to determine the degree of conversion of a particular reactant, or to determine the reactor volume to achieve a particular conversion.

The system volume is defined as the volume enclosed by physical boundaries

of the reactor.

F j0

System

Volume G j F j
Volume
G
j
F j

Focus on species which are able to participate in a chemical reaction or are generated as a result of it. Molar fluxes of such components must be balanced

A mole balance on species j at any instant of time, t:

rate of flow

of

j into

the system

(

moles time

/

in

)

 

+

rate of generation

of

j

by chemical

reaction within

the system

(

moles time

/

)

generation

  

rate of flow

of

j out

the system

(

moles time

/

out

)

=

rate of accumulati on

of

j

within

the system

(

moles time

/

)

accumulation

Reactor Design

General Mole Balance

Reactor Design General Mole Balance       rate of flow of j

rate of flow

of

j into

the system

(

moles time

/

)

 


rate of generation

of

j

by chemical

reaction within

the system

(

moles time

/

)

 

rate of flow

of

j out

the system

(

moles time

/

)

in

+

generation

out

F

j

0

G

j

F

j

dN

j

dt

=

Mole balance

rate of accumulati on

of

j

within

the system

(

moles time

/

)

accumulation

(1)

If all the system variables are spatially uniform throughout the system volume, the rate of generation of species j, Gj:

G

moles

time

j

r

j

V

moles

volume time

volume

(2)

Reactor Design

Reactor Design Mole balance General Mole Balance The rate of reaction could vary through the system

Mole balance

General Mole Balance

The rate of reaction could vary through the system volume due to variation of

concentration, temperature, etc

dependant on the location within the system volume.

This means that rate of generation of species j is

V 1  V 2 r j1  r j2
V 1
V 2
r j1
r j2

V Consider indefinitely small volumes, V i , so that the rate of reaction

r j1

in V 1 ; r j2

in V 2

r ji

in V i

Using equation (2):

G r V

ji

ji

i

(3)

Total rate of generation within the system

divided into M sub-volumes :

G

j

M M

i

1

G

ji

i

1

r

ji

V

i

(4)

Let M and V0:

G

j

V

0

r dV

j

(5)

Returning to the equation of mole

balance (1): V dN j F  F   r dV  (6) j
balance (1):
V
dN
j
F
F
r dV
(6)
j
0
j
j
dt
0
General Mole Balance Equation

Reactor Design

Reactor Design Mole Balance for Batch Reactors Mole balance (Batch reactor) A batch reactor has neither

Mole Balance for Batch Reactors

Mole balance (Batch reactor)

A batch reactor has neither inflow nor outflow of reactant or products in the course of reaction

V dN j F  F   r dV  j 0 j j
V
dN
j
F
F
r dV
j
0
j
j
dt
0

General mole balance on species j:

dN

j

dt

V

0

r dV

j

(7)

If the reaction mixture is perfectly mixed (r j = const)

dN

j

dt

r V

j

(8)

Reactor Design

Reactor Design Mole balance (Batch reactor) Mole Balance for Batch Reactors dN  A  r

Mole balance (Batch reactor)

Mole Balance for Batch Reactors

dN  A  r V dt A
dN
A
 r V
dt
A

Consider the reaction: A  B

Question:

Time, t 1 necessary to reduce the initial number of moles from N A0 to a final desired number N A1 ?

N A

N A0 N A1 t
N
A0
N
A1
t

t 1

Rearranging,

dN

A r V

A

dt

dt

dN

A

r V

A

(8)

Integrating with limits at t=0, then N A =N A0 , and t=t 1 , then N A =N A1 ,

Time, t 1 necessary to reduce the number of moles from N A0 to N A1 is:

t

N

A 0

N

A

1

dN

A

r V

A

Reactor Design

Reactor Design Mole balance (Batch reactor) dN  A  r V dt A Consider the

Mole balance (Batch reactor)

dN  A  r V dt A Consider the reaction:
dN
A
 r V
dt
A
Consider the reaction:

(CH 3 ) 2 O CH 4 + H 2 + CO

A

dN

Batch Reactor Constant Volume or Constant Pressure:

Does it make a difference?

Volume or Constant Pressure: Does it make a difference? Constant volume Constant pressure  M  

Constant volume

Pressure: Does it make a difference? Constant volume Constant pressure  M   + H  

Constant pressure

 M

 

+ H

 

+

C

A

 
A     1 V dN dt A  r A
 

1

V

dN

dt

A

r

A

d

(

N

A

/

V

)

dC

A

 
 

dt

 

dt

r

A

dC

A

C

A

d

(ln

V

)

 
 

dt

 

dt

 

r

A

A r V

dt

No spatial variation of rate

1

Perfectly mixed

 r V dt No spatial variation of rate 1 Perfectly mixed dN A Constant-volume batch

dN

A

Constant-volume batch reactor

V

dt

Constant-pressure batch reactor

N

A

C V

A

1

dN

A

V

dt

1

d

(

C V

A

)

V

dt

dC

A

dt

C

A

V

dV

dt

r

A

Reactor Design

Mole Balance for CSTR

Reactants

Reactor Design Mole Balance for CSTR Reactants Mole Balance (CSTR) The CSTR is a well mixed
Reactor Design Mole Balance for CSTR Reactants Mole Balance (CSTR) The CSTR is a well mixed

Mole Balance (CSTR)

The CSTR is a well mixed reactor operated continuously There are no spatial variations in concentration, temperature, or reaction rate throughout the tank

Products

V

0

dN

dt

j

F j

0

F

j

r dV

j

CSTR are operated at steady state:

dN j

dt

0

and r j = const

V

0

r

j

dV Vr

j

(9)

(10)

Using equations (9) and (10):

F

j

0

F

j

Vr

j

0

Design equation for a CSTR

V

F

j

0

F

j

r

j

(11)

(12)

The molar flow rate F j is just the product of concentration of species j and the volumetric flow rate v

F

j

C

j

v

moles

time

moles

volume

volume

time

Reactor Design

Reactor Design Mole Balance (PFR)   V dN   F   F   0 r

Mole Balance (PFR)

 

V

dN

 

F

 

F

0

r dV

j

 

j

 

j

0

j

 

dt

F

j

V



V

r

 

j

V

0

Mole Balance for Tubular Reactors

Tubular reactors consist of a cylindrical pipe and are normally operated at steady state

V F j0 F j , exit F j (V) - the molar flow rate
V
F j0
F j , exit
F j (V) - the molar flow
rate of species j into
subvolume V
Fj(V+V) the molar flow
rate of species j out of
the subvolume
F j (V)
V
F j (V+V)

Highly turbulent flowspecies j out of the subvolume F j (V) V F j (V+V) No radial variations

No radial variations in concentrationssubvolume F j (V) V F j (V+V) Highly turbulent flow Model of a plug-flow reactor

Highly turbulent flow No radial variations in concentrations Model of a plug-flow reactor (PFR) In spatially

Model of a plug-flow reactor (PFR)

In spatially uniform subvolume V:

G

j

V

0

r dV

j

 

r

j

V

- steady state operation:

(13)

dN j

dt

0

j

V

j

V

General mole balance for the subvolume:

F

V

(14)

After rearranging:

F



V

F

j

V

V

(15)

r

j

taking the limit as V0

lim

 

0

F

j

V



V

F

j

V

V

 

dF

j

dV

(16)

General Mole Balance Equation

dF

j

dV

r

j

or

Differential

V

F

j

F j 0

dF

j

r

j

Integral

(17)

(18)

Reactor Design

Reactor Design Mole Balance (PFR) Mole Balance for Packed-Bed Reactors Packed-Bed Reactors are designed to carry

Mole Balance (PFR)

Mole Balance for Packed-Bed Reactors

Packed-Bed Reactors are designed to carry out heterogeneous reaction.

W

W F j0 F j , exit W F j (W) F j (W+W)
W
F j0
F j , exit
W
F j (W)
F j (W+W)

W

0

' dN

dt

j

F j

0

F

j

r dV

j

PBR Features

Reactor volume is filled with catalysts F j  r dV j  PBR Features Reaction kinetics is dependant on a

Reaction kinetics is dependant on a quantity of catalyst PBR Features Reactor volume is filled with catalysts moles A  ' r j 

moles A

 '

r

j

mass of catalyst time

Replacing volume coordinate with the

catalyst weight coordinate and assuming that there are no radial gradients in concentration, temperature, or reaction rate:

F

j

W

F

j

W



W

 

r

j

W

0

After rearranging:

F

j

W



W

F

j

W

W



r

j

(19)

If the limit is W0

Differential form of the general mole balance for PBR:

dF

j

dW

r

j

(20)

Integral form of the general mole balance for PBR:

W

F

j

F j 0

dF

j

r

j

(21)

Reactor Design

Reactor Design Mole Balance Mole Balance for Different Types of Reactors Reactor Type Differential Algebraic Integral

Mole Balance

Mole Balance for Different Types of Reactors

Reactor Type

Differential

Algebraic

Integral

Batch

CSTR

PFR

PBR

dN A

dt

r V

A

dF

A

dV

dF

A

dW

r

A

r

A

V

F

j

0

F

j

r

j

t

V

W

N

A

N A 0

N A 0

F A0

dN

A

r V

A

dF

A

r

A

F

A

F

A0

F

A

dF

A

r

A

Reactor Design

Mole Balance (Example 1-3)

Example 1: The first-order reaction A  B is carried out in a tubular reactor in which the volumetric flow rate, v, is constant.

Derive an equation relating the reactor volume to the entering and exiting concentrationsin which the volumetric flow rate, v , is constant. of A, the rate constant k

of A, the rate constant k, and the volumetric flow rate v.

Determine the reactor volume necessary to reduce the exiting concentration to 10% of the entering concentration when the volumetric flow rate is 10 dm 3 /min and the specific reaction rate, k, is 0.23 min - 1 . 3 /min and the specific reaction rate, k, is 0.23 min -1 .

Solution The mole balance on species A in tubular reactor is: dF A  r
Solution
The mole balance on species A in tubular
reactor is:
dF
A
 r
Reactants
Products
A
dV
Molar flow of the species A into reactor is:
F A
 vC
For a first-order reaction, the rate law is:
A
Therefore
-r A = kC A
dF A
d
(
v
C
)
dC A
A
 v
dV dV
dV

Reactor Design

Mole Balance (Example 1-3)

Example 1: The first-order reaction A  B is carried out in a tubular reactor in which the volumetric flow rate, v, is constant.

in which the volumetric flow rate, v , is constant. Derive an equation relating the reactor

Derive an equation relating the reactor volume to the entering and exiting concentrations

of A, the rate constant k, and the volumetric flow rate v.

Solution (continuation) Substitutions into molar balance equation results in: dC A dV Rearranging gives: 
Solution (continuation)
Substitutions into molar balance equation results in:
dC
A
dV
Rearranging gives:
k
C
 
A
Using the conditions at the entrance of the reactor that when V=0, C A =C A0
C
V
A
v
dC
v
dV
C A 0
After integration:
V 
ln
k
C
k
C
A 0
A
C A 0

A

v

A

 kC

v   dC

A

  dV

Reactor Design

Mole Balance (Example 1-3)

Example 1: The first-order reaction A  B is carried out in a tubular reactor in which the volumetric flow rate, v, is constant.

Determine the reactor volume necessary to reduce the exiting concentration to 10% of the entering concentration when the volumetric flow rate is 10 dm 3 /min and the specific reaction rate, k, is 0.23 min -1 .

concentration when the volumetric flow rate is 10 dm 3 /min and the specific reaction rate,
Solution (continuation) Substituting v=10 dm 3 /min; k=0.23 min -1 ; C A =0.1C A0
Solution (continuation)
Substituting v=10 dm 3 /min; k=0.23 min -1 ; C A =0.1C A0 :
v
C A 0
V 
ln
k
C
A

Reactor Design

Reactor Design Mole Balance (Example P1-3) Example 2 : The first-order reaction A  B is

Mole Balance (Example P1-3)

Example 2: The first-order reaction A  B is carried out in a CSTR in which the volumetric flow rate, v, is constant.

CSTR in which the volumetric flow rate, v , is constant. Determine the reactor volume necessary

Determine the reactor volume necessary to reduce the exiting concentration to 10% of the entering concentration when the volumetric flow rate is 10 dm 3 /min and the specific reaction rate, k, is 0.23 min -1 .

Solution

The mole balance on species A in CSTR is:

V

F

A

0

F

A

r

A

Molar flow of the species A into reactor is:

F A

vC

A

Reactants

the species A into reactor is: F A  v  C A Reactants Products For

Products

For a first-order reaction, the rate law is:

-r A = kC A

Reactor Design

Reactor Design Mole Balance (Example P1-4) Example 3 : The first-order reaction A  B is

Mole Balance (Example P1-4)

Example 3: The first-order reaction A  B is carried out in a Constant Volume Batch Reactor.

B is carried out in a Constant Volume Batch Reactor . Determine the time necessary to

Determine the time necessary to reduce the number of moles of A to 10% of its initial value when the specific reaction rate, k, is 0.23 min -1 .

Solution

The mole balance on species A in Batch reactor is:

dN

A

dt

r V

A

The moles of A into reactor is given by:

N A

dt

C V

A

 kC V

A

A into reactor is given by: N A dt  C V A  kC V

For a first-order reaction, the rate law is:

-r A = kC A

d

(

C V

A

)