Chemical reaction engineering

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Chemical reaction engineering

© All Rights Reserved

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You are on page 1of 35

Lecture 1- Chapter 1

1

Lecture 1

Introduction

Definitions

Batch (BR)

Continuously Stirred Tank Reactor (CSTR)

Plug Flow Reactor (PFR)

Packed Bed Reactor (PBR)

2

Chapter 1

Chemical reaction engineering is at the heart of

virtually every chemical process. It separates the

chemical engineer from other engineers.

Reaction Engineering (CRE) are:

CPI (Chemical Process Industries)

Examples like Dow, DuPont, Amoco, Chevron

3

Chapter 1

4

Chapter 1

Chemical Reaction Engineering (CRE) is the

field that studies the rates and mechanisms of

chemical reactions and the design of the reactors

in which they take place.

7

Chapter 1

Chemical Identity

A chemical species is said to have reacted when

it has lost its chemical identity.

The identity of a chemical species is determined

by the kind, number, and configuration of that

species’ atoms.

8

Chapter 1

Chemical Identity

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:

2. Combination N2 + O2 2 NO

3. Isomerization C2H5CH=CH2 CH2=C(CH3)2

9

Chapter 1

Reaction Rate

The reaction rate is the rate at which a species

looses its chemical identity per unit volume.

expressed as either:

The rate of Disappearance of reactant: -rA

or as

The rate of Formation (Generation) of product: rP

10

Reaction Rate

Consider the isomerization

AB

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

11

Chapter 1

Reaction Rate

EXAMPLE: AB

If Species B is being formed at a rate of

0.2 moles per decimeter cubed per second, i.e.,

rB = 0.2 mole/dm3/s

-rA= 0.2 mole/dm3/s

The rate of formation (generation of A) is:

rA= -0.2 mole/dm3/s

12

Chapter 1

Reaction Rate

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)

13

Chapter 1

Reaction Rate

Consider species j:

1. rj is the rate of formation of species j per unit volume

[e.g. mol/dm3s]

2. rj is a function of concentration, temperature,

pressure, and the type of catalyst (if any)

3. rj is independent of the type of reaction system

(batch, plug flow, etc.)

4. rj is an algebraic equation, not a differential equation

(e.g. -rA = kCA or -rA = kCA2)

14

Building Block 1: Chapter 1

System

Volume, V

Fj0 Gj Fj

Rate of Rate of Generation Accumulation

Species j in Species j out of Species j of Species j

dN j

Fj 0 Fj Gj

dt

mole mole mole mole

15 time time time time

Building Block 1: Chapter 1

If spatially uniform:

G j rjV

V1

V2

rj1

rj 2

G j1 rj1V1

G j 2 rj 2 V2

16

Building Block 1: Chapter 1

n

G j rji Vi

i 1

Take limit

n

Gj rji Vi r dV

j

i1 lim V 0 n

17

Building Block 1: Chapter 1

System

Volume, V

FA0 GA FA

dNA

FA 0 FA r dV

A

dt

18

Chapter 1

Batch

dN A

FA0 FA rA dV

dt

FA0 FA 0

Well-Mixed r dV r V

A A

dNA

rAV

19 dt

Chapter 1

dN A

Integrating dt

rAV

t 0 N A N A0

when

t t NA NA

NA

dN A

t

N A0

rAV

20

Chapter 1

NA

dN A

t

N A0

rAV

NA

21 t

Chapter 1

CSTR

dNA

FA 0 FA rA dV

dt

dNA

Steady State 0

dt

22

Chapter 1

Well Mixed r dV r V

A A

FA 0 FA rAV 0

FA 0 FA

V

rA

CSTR volume necessary to reduce the molar flow

rate from FA0 to FA.

23

Chapter 1

24

Chapter 1

V

FA FA

V V V

In Out Generation

at V 0

at V V in V

FA V FA V V rA V 0

25

Chapter 1

Rearrange and take limit as ΔV0

FA V V FA V

lim rA

V 0 V

dFA

rA

dV

flow rate (mol/s) from FA0 to the exit molar flow rate of FA.

26

Chapter 1

PFR

dN A

FA0 FA rA dV

dt

dN A

Steady State 0

dt

FA0 FA rA dV 0

27

Alternative Derivation Chapter 1

Differientiate with respect to V

0

dFA

rA

dFA

rA

dV dV

FA

dFA

The integral form is: V rA

FA 0

entering molar flow rate (mol/s) from FA0 to the

exit molar flow rate of FA.

28

Chapter 1

W

PBR

FA FA

W W W

FA W FA W W rA W

dN A

dt

Steady State dN A

0

dt

FA W W FA W

lim rA

29

W 0 W

Chapter 1

Rearrange:

dFA

rA

dW

The integral form to find the catalyst weight is:

FA

dFA

W

FA 0

rA

entering molar flow rate FA0 to molar flow rate FA.

30

Chapter 1

The GMBE applied to the four major reactor types

(and the general reaction AB)

Reactor Differential Algebraic Integral

NA

NA

dN A

Batch dN A

rAV t

dt rV

N A0 A

t

CSTR FA 0 FA

V

rA FA

FA

PFR dFA V

dFA

rA

dV FA 0

drA

V

FA FA

dFA dFA

PBR

dW

rA W

FA 0

rA

31

W

Algorithm

Separations

32

Algorithm

Reaction Engineering

33

Algorithm

Heat Effects

Isothermal Design

Stoichiometry

Rate Laws

Mole Balance

CRE Algorithm

34

Algorithm

CRE building blocks while learning this material!

35

Algorithm

Heat Effects

Isothermal Design

Stoichiometry

Rate Laws

Mole Balance

36

End of Lecture 1

37

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