CN 2116

Chemical Kinetics and Reactor

Design (Part II) Unit 0
(I) Non-Ideal Reactors
(II) Heterogeneous Reaction Systems
need big picture to understand

Dr. Xie Jianping

chexiej@nus.edu.sg

Consultation:

Friday: 2-3 pm
E5-03-18

What We Already Covered

Isothermal, Ideal Reactor (Homogeneous Single
or mul:ple
1 phase
Reaction) Design

Output

for design, need reactor and reac:on informa:on

Mole Balance

Rate Law

Design Algorithm

In Out + Gen = Acc

dN A
FA0 FA rAdV
V
dt

rA kC

1.GMBE, 2.Rate Law

3. Stoich, 4.Combine

n
A

Analysis of Rate Law

Kinetics: k and n

Multiple Reactions
genera:on term
linked to reac:on info

P-2

Time (t)
Space time
V/vo

either leads to the other

Conversion
(X)
Products
distribution

Selectivity, Yield
for 2nd part, rate (reac:on) info is same but the GMBE has
to be modied for non-ideal reactors
for heterogenous reac:on systems, GMBE is the same but the reac:on info has to be modied
single

Topic I: Non-Ideal Reactors

Real equipment always deviates from these ideals
when inlet, outlet too close

assump:ons of ideal CSTR -> perfect mixing, 1 conc

real tank reactor -> non-ideality -> bypassing, dead zone

Dead zones

Bypassing
Channeling

volumes

PBR

too large tank or impeller not

powerful enough or uid
viscosity too high -> certain
regions are dead

How to account
for this?
- Unit 7 & 8
the packing of bed is not consistent so there might be channels formed
shorter contact :me then predicted by ideal case
inten:on is not to design non-ideal reactors but for diagnos:c purposes to troubleshoot abnormal

P-3

behaviour and to understand the eects of non-ideality on reactor performance nd x for real reactor

Topic II: Heterogeneous Reaction Systems

focus on cataly:c reactors

Heterogeneous reactions are encountered by the transport of materials and heat to and
away from the reaction sites. Thus the rate expression in general will incorporate mass/heat
transfer terms in addition to the usual chemical kinetics term (intrinsic reaction rate).
for 2 phase, reac:on not carried out in bulk uids but at surface so the conc
dis from loca:on -> need to account for it
Catalytic Reactors need to consider mass transfer term

chemical reac:on term

reac:on carried out in bulk uids

reduce pressure drop?

xed bed

reac:on occurs on catalyst surface

"ns" can improve

heat transfer of
reactor

use ultra ne solids

to improve

moving bed reactor

solve problem of catalyst deac:va:on

P-4

The Steps to Consider

bulk uid transported
to cat surface

Unit 10

pore diusion

adsorp:on
ac:ve site
surface rxn

1.
2.
3.
4.
5.
6.
7.

Mass transfer through external boundary layer

Diffusion into pores
Adsorption
Surface reaction
Desorption
Diffusion of products out of pores
Mass transfer back to bulk fluid

Unit 11
dissocia:on

Unit 9
may not be simple power
rate law

The overall rate of reaction

equals to the rate of the
slowest step in the mechanism
rate-determining step.

P-5

Definition of Reaction Rate

Based on unit volume of reacting fluid

1 dN i
moles of i formed
ri

V dt
( volume of fluid)(time)

used generally for homo systems

Based on unit mass of solid in fluid-solid systems

1 dN i
moles of i formed
ri '

W dt
(mass of solid)(time)

since it is uid solid system

Based on unit interfacial surface

1 dN i moles of i formed
ri ' '

S dt
(surface)(time)

V ri W ri ' S ri ' '

P-6

= dNi/dt

Overview of Packed Bed Reactor Design

AB

isomerisa:on
reac:on conc in par:cle

CA

C As

reactant conc at surface

C Ab

reactant conc in bulk uid

porous catalyst pellet

PBR

P-7

Porous catalyst pellet

Ac , L

R, d p , ac

C Ab , v0 , U

C Ab , C As , C A

WAr , kc , DAB

n , ,

W , S a , c , b ,

DAB

A catalyst pellet

d 2C Ab
dC Ab
U
rA ' b 0
2
dz
dz

n
rA ' (rAs ' ) (knC As
?)
n
rA ' (rAb ' ) (knC Ab
?)

Module
Organization

structured

P-8