Professor De Chen

Institutt for kjemisk prosessteknologi, NTNU

Gruppe for katalyse og petrokjemi

Kjemiblokk V, rom 407

chen@nt.ntnu.no
Department of Chemical Engineering

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 Kjemisk reaksjonsteknikk
Chemical Reaction Engineering

H. Scott Fogler: Elements of Chemical Engineering

www.engin.umich.edu/~cre

University of Michigan, USA

Time plan:
Department of Chemical Engineering

Week 34-47, Tuesday: 08:15-10:00

Thursday: 11:15:13:00
Problem solving: Tuseday:16:15-17:00

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 3 - 03/30/20
Department of Chemical Engineering
 Kjemisk reaksjonsteknikk
Chemical Reaction Engineering

 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.
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 Lecture notes will be published on It’s
learning after the lecture

(Pensumliste ligger på It’s learning

Deles ut på de første forelesningene)
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Øvingsopplegget ligger på It’s learning

Deles ut på de første forelesningene

5 - 03/30/20
 Felleslaboratorium

Faglærer: Professor Heinz Preisig

For information: It’s learning

Introduction lecture:

Place :  in PFI-50001, the lecture room on the

Department of Chemical Engineering

top of the building

Date:    Tuesday 21 of August
Time:    12:15 - 14:00

6 - 03/30/20
 TKP4110 Chemical Reaction Engineering

Øvingene starter onsdag 26 august kl 1615

i K5.
Lillebø, Andreas Helland: andreas.lillebo@chemeng.ntnu.no
Stud.ass.:
Kristian Selvåg : krisse@stud.ntnu.no
Department of Chemical Engineering

Øyvind Juvkam Eraker: oyvindju@stud.ntnu.no

Emily Ann Melsæther:  melsathe@stud.ntnu.no

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 Lecture 1
Kjemisk reaksjonsteknikk
Chemical Reaction Engineering

1.Industrial reactors
2.Reaction engineering
3.Mass balance
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4.Ideal reactors

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 Steam Cracking (Rafnes)
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Batch reactor

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Fixed bed reactor

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CSTR bioreactor
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Department of Chemical Engineering Artificial leaf, photochemical reactor

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 Chemical Engineering

Momentum
transfer

Reaction
engineering
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Mass Heat
transfer transfer

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 Reaction Engineering

Mole Balance Rate Laws Stoichiometry

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These topics build upon one another

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 No-ideal flow

Heat Effects
Isothermal Design
Stoichiometry
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Rate Laws
Mole Balance

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 Chemical kinetics and reactor design
are at the heart of
producing almost all industrial chemicals

It is primary a knowledge of
chemical kinetics and reactor design that
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distinguishes
the chemical engineer from other
engineers
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 Reaction Engineering

1. Week 34, Aug. 21, chapter 1, Introduction, mole balance, and ideal
reactors,
2. Week 34, Aug. 23, chapter2, Conversion and reactor size
3. Week 35, Aug. 28, chapter 3, Reaction rates
4. Week 35, Aug. 30, chapter 3, Stoichometric numbers
5. Week 36, Sept. 4, chapter 4, isothermal reactor design (1)
6. Week 36, Sept. 6, chapter 4, isothermal reactor design (2)
7. Week 37, Sept. 11, chapter 10, catalysis and kinetics (1)
8. Week 37, Sept. 13, chapter 10, catalysis and kinetics (2)
9. Week 38, Sept. 18, chapter 10, catalysis and kinetics (2)
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10.Week 38, Sept. 20, chapter 5,7, kinetic modeling (1)

11.Week 39, Sept. 25, chapter 5,7, kinetic modeling (2)
12.Week 39, Sept. 28 chapter 6, multiple reactions (1)
13.Week 40, Oct. 2, chapter 6 multiple reactions (2)
14.Week 40, Oct. 4, summary of chapter 1-7, and 10

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 Reaction Engineering
 41 (9/10, 11/10) 8.1 - 8.2 (JPA) Reaktorberegninger for ikke-isoterme systemer.
 42 (16/10, 18/10) 8.3 – 8.5 (JPA) Energibalanser, stasjonær drift. Omsetning ved
likevekt. Optimal fødetemperatur.
 43 (23/10, 25/10) 8.6 - 8.7 (JPA) CSTR med varmeeffekter og flere løsninger ved
stasjonær drift, ustabilitet.

 44 (30/10, 1/11) 11 (JPA) Masseoverføring, ytre diffusjonseffekter i
heterogene systemer.

 45 (6/11, 8/11) 11 (JPA) Fylte reaktorer (packed beds). Kjernemodellen
(shrinking core). Oppløsning av partikler og
regenerering av katalysator.
 46 (13/11, 15/11) 12.1-12.4 (JPA) Diffusjon og reaksjon i katalysatorpartikler,
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Thieles modul, effektivitetsfaktor.

 47 (20/11,22/11) 12.5-12.8 (JPA) Masseoverføring og reaksjon i flerfasereaktorer.
Oppsummering.
 50 (Mandag 13/12) Eksamen, kl 0900-1300.

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 Chemical Identity and 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
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3. Isomerization C2H5CH=CH2  CH2=C(CH3)2

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 Reaction Rate

 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

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or as
The rate of Formation (Generation) of product: rP

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 Reaction Rate
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
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rB = the rate of formation of species B per unit

volume

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 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)

NOTE: dCA/dt is not the rate of reaction

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

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

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 General Mole Balance
System
Volume,
V
Fj0 Gj Fj

 Molar Flow  Molar Flow   Molar Rate   Molar Rate 

 Rate of    Rate of   Generation    Accumulation
       
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 Species j in   Species j out  of Species j  of Species j 

dN j
Fj 0  Fj  Gj 
dt
 mole   mole   mole   mole 
          
26  time   time   time   time 
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 General Mole Balance

If spatially uniform
G j  r jV

If NOT spatially uniform

 V1
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V2
rj1
rj 2
G j1  r j1V1
G j 2  r j 2 V2

27

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 General Mole Balance

W
G j   rji Vi
i1

Take limit
n

Gj   rji Vi   r dV
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j
i1 lim V  0 n  

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 General Mole Balance
System
Volume,
V
FA GA FA
0

General Mole Balance on System Volume V

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In  Out  Generation  Accumulation

dN A
FA 0  FA   rA dV 
dt
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 Batch Reactor Mole Balance

Batch

dN A
FA 0  FA   rA dV 
dt
FA 0  FA  0
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Well Mixed r A dV  rAV

 dN A
 rAV
30 dt
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 Batch Reactor Mole Balance
dN A
Integrating dt 
rAV

when t = 0 NA=NA0
t=t NA=NA

NA
dN A
t   rAV
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N A0

Time necessary to reduce number of moles of A

31 from NA0 to NA.
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 Batch Reactor Mole Balance

NA
dN A
t 
N A0
 rAV

NA
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32 t
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 CSTR Mole Balance

CSTR

dN A
FA 0  FA   rA dV 
dt
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Steady State dN A
0
 dt
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 CSTR Mole Balance

Well Mixed  r dV  r V
A A

FA 0  FA  rAV  0

FA 0  FA
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 V 
rA
CSTR volume necessary to reduce the molar
34
flow rate from FA0 to FA.
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 Plug Flow Reactor Mole Balance
V

FA FA


V V  V
 
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 In  Out  Generation
at V       0
  at V  V  in V 
FA V  FA V  V  rA V 0
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 Plug Flow Reactor Mole Balance

Rearrange and take limit as ΔV0

FA V V  FA V
lim  rA
V  0 V
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dFA
 rA
 dV
This is the volume necessary to reduce the
36 entering molar flow rate (mol/s) from F A0 to the
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 Alternative Derivation –
Plug Flow Reactor Mole Balance

PFR

dN A
FA0  FA   rA dV 
dt

dN A
Steady State 0
dt
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FA0  FA   rA dV  0
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 Alternative Derivation –
Plug Flow Reactor Mole Balance
Differientiate with respect
to V dFA
0  rA
dV
dFA
 rA
dV

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FA
dFA
The integral form is: V  
FA 0
rA

This is the volume necessary to reduce the
entering molar flow rate (mol/s) from F A0 to the
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exit molar flow rate of F . 38 - 03/30/20
 Packed Bed Reactor Mole Balance

PBR

dN A
FA W   FA W  W   rA W 
dt
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Steady State dN A
0
dt
FA W  W  FA W
lim  rA
39
W  0 W
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 Packed Bed Reactor Mole Balance

Rearrange:
dFA
 rA
dW

The integral form to find the catalyst weight

is:
 FA
dFA
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W 
FA 0
rA

PBR catalyst weight necessary to reduce the

40
entering molar flow rate FA0 to molar flow rate
F. 40 - 03/30/20
 Reactor Mole Balance Summary

Reactor Differential Algebraic Integral

NA NA
dN A
Batch dN A
dt
 rAV t 
N A0
rAV
t
CSTR FA 0  FA
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V 
rA
FA
FA
PFR dFA dFA
 rA
dV 
V  
FA 0
drA
V
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