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Design of Reactor

By; Eko Ariyanto, ST., MChemEng

8 November 2007 (Week II)

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Single reactions design


batch / plug reactor / CSTR Batch

PFR

(rA )V N A0

t CA 0

XA
0

dX A
dt

dX A
(rA )

We need a
comparative
study

CSTR

FA 0 XA (rA )V

FA0 dX A (rA )dV


X A dX
V
A
C A0
0
v0
rA

A 0

For constant density systems:


identical performance equation
the same V is needed to do the job

V CA 0V CA 0 X A

v0
FA 0
rA

Single reactions design


- CSTR (mixed) / plug reactor General nth order rate equation:

C A C A0

mixed

plug

1 X A
1 A X A

1 dN A
rA
kCAn
V dt

C A0V
C A0 X A
1 X A (1 A X A ) n

m

rA
kCAn 01 (1 X A ) n
FA0 m

CA 0V
X A dX
1
A
p

A 0 0
rA kCAn1
FA 0 p
0

XA
0

(1 A X A ) n dX A
(1 X A ) n

n 0 3

(1)

2)

Single reactions design


- CSTR (mixed) / plug reactor Dividing (1) / (2) and

n1

C
A 0 m
n1

C
A 0 p

V VC A0

v0
FA0

C n V
1 A X A
A0

X A

1 X A
m
FA 0 m

n
C n V X

A 1 A X A
A0


dX A

0
FA 0 p

1 X A
p

A 0

Single reactions design


- CSTR (mixed) / plug reactor A 0
n 1

n 1

C
C

n1
A0 m
n1
A0 p

1 X A
m

C
C

n1
A0 m
n1
A0 p

1 X 1n 1
A

n 1

X
A
1 X A m

ln(1 X A ) p

Single reactions design


- CSTR (mixed) / plug reactor For equal quantities (FA0) of
the same feed (CA0):

m
p

1 X A
m

Vm

Vp 1 X A 1n 1

n 1

Plot for various XA and compare


the performance

Single reactions design


- mixed reactor systems / 1st order rxn. N VN

p Vp

Series of N mixed

N C0
N reactors N i
k CN

1
k

p ln
Plug flow

C0
C

1/ N

AR

Single reactions design


- plug reactor systems Consider:

N plug flow reactors connected in series

X1, X2,...XN

Conversion of component A leaving reactor 1,2,3N

FA 0

X Af
X Ai

dX A
rA

Vi

FA 0

for ith
reactor

dX A
X i 1 r
Xi

N reactors in series

N
V
Vi V1 V2 ...VN

F0 i1 F0
F0

X0

dX
r

X2
1

dX
r

...

XN

dX

X N 1

XN
X0

N plug reactor in series conversion = single plug reactor conversion

dX
r

Design of parallel reactions


- product distribution Decomposition of A

k1

R
k2

S
rR
rS

dCR
k1C Aa1
dt
dCS
k 2C Aa2
dt

k1 , k2 , a1 , a2
CA

(desired product)
(unwanted product)

rR dCR k1 a1 a2

CA
rS dCS k 2

ct. (specific system, given temp.)


adjust & control

maximise!!!

Design of parallel reactions


- product distribution Decomposition of A

k1

R
k2

S
rR
rS

dCR
k1C Aa1
dt
dCS
k 2C Aa2
dt

k1 , k2 , a1 , a2
CA

(desired product)
(unwanted product)

rR dCR k1 a1 a2

CA
rS dCS k 2

ct. (specific system, given temp.)


adjust & control

maximise!!!

Design of parallel reactions


- adjusting CA rR dCR k1 a1 a2

CA
rS dCS k 2
CA low

CA high

Mixed flow reactor

Batch / PFR

Maintaining high conversion

Maintaining low conversion

Increasing inerts in feed

Removing inerts in feed

Decreasing the pressure in


gas-phase systems

Increasing the pressure in


gas-phase systems

CA low or high?

Design of parallel reactions


- adjusting CA k1

k2

(desired)

(unwanted)

rR dCR k1 a1 a2

CA
rS dCS k 2

a1 a2 0

CA should be high

Batch / plug flow reactor small


size reactor

a1 a2 0

CA should be low

Mixed flow reactor large size


reactor

a1 a2

rR dCR k 2

ct.
rS dCS k1

Product distrib. unaffected by CA

Design of parallel reactions


- adjusting k2/k1 k1

k2

(desired)

(unwanted)

rR dCR k1 a1 a2

CA
rS dCS k 2

2 ways:

Changing the temperature level of operation later!


Using a catalyst selectivity feature the most effective way!

Design of parallel reactions


- summary k1

k2

(desired)

rR

dCR
k1C Aa1
dt

(unwanted)

rS

dCS
k 2C Aa2
dt

Reactants concentration = key controlling variable:


High reactant concentration favours the high order reaction
Low reactant concentration favours the lower order reaction

No effect of concentration reactions with the same order

Design of parallel reactions


- other parallel reactions -

A B
A B

k1

k2

R
S

(desired)

(unwanted)

dCR
rR
k1CA1 CB1
dt
dCS
rS
k 2C A 2 CB 2
dt

rR dCR k1 1 2 1 2

C A CB
rS dCS k 2
1 2 0

1 2 0

1 2 0

1 2 0

Maximise!!!

Design of parallel reactions


- contacting patterns Batch process

rR dCR k1 1 2 1 2

C A CB
rS dCS k 2

1 2 0

1 2 0

1 2 0

1 2 0

1 2 0

1 2 0

Design of parallel reactions


- contacting patterns Continuous process

Slide 25

rR dCR k1 1 2 1 2

C A CB
rS dCS k 2

1 2 0

1 2 0

1 2 0

1 2 0

1 2 0

1 2 0

Slide 19

Design of parallel reactions


- contacting patterns Example 1: For the following reactions:

A B
A B

k1

R T

k2

S U

(desired)

(unwanted)

dCR dCT

k1C 1A.5CB0.3
dt
dt
dCS dCU

k 2C A0.5CB1.8
dt
dt

Order the contacting schemes from most desirable to least desirable

Design of parallel reactions


- contacting patterns Example 1 Solution:
0.3
rR k1C1.5
C
A
B

rS k2CA0.5C1.8
B

Maximise

rR k1
1.5
CA CB
rS k2

CA high, CB low (most important)

Design of parallel reactions


- fractional yield Knowing the rate equations - we can determine the product distribution &
reactor size

AR

Instantaneous fractional yield of R

moles R formed dCR


moles A reacted dCA

Overall fractional yield of R

CRf
CRf

all R formed

in reactor
all A reacted CA 0 CAf (CA )
Selectivity

moles of desired product formed


selectivity

moles
of
undesired
material
formed

Design of parallel reactions


- fractional yield for PFR / MFR PFR

CA is changing through the reactor

1
p
CA 0 CAf
MFR

dC

CA 0 A C
A
C Af

C Af
CA 0

dCA

CAf composition everywhere

m evaluated at CAf

PFR / MFR relationships

d p
m

dCA at C Af

1
CA

C Af
CA 0

m dCA

Design of parallel reactions


- fractional yield for series of MFR MFR in series

N mixed

Overall yield = sum (fractional yields) weighted by the


amount of reaction occurring in each vessel

1 (CA 0 CA1 ) 2 (CA1 CA 2 ) ... N (CA,N 1 CA,N )


CA 0 CAN

For any type of reactor:

CRf (CA 0 CAf )

Very useful!!!

Design of parallel reactions


- graphical representation of CRf CRf

CRf

CRf

1
CA

C Af
CA 0

dCA

m evaluated at CAf

N mixed

CRf (CA 0 CAf )

CRf (CA 0 CAf )

CA 0 CAN

CRf (CA 0 CAf )

1 (CA 0 CA1 ) ... N (CA,N 1 CA,N )

Design of parallel reactions


- graphical representation / types of flow Which type of flow gives the best product distribution?

the largest area

Plug flow is best

Mixed flow is
best

Mixed up to CA1
follow by plug
flow

Design of parallel reactions


- product distribution Example 2: Consider the aqueous reactions:
k1

A B

k2

R
S

(desired)
(unwanted)

Equal volumetric flow rates of A and B


Each stream has C=20 mol/l of reactant

90% conversion of A

CRf=?

dCR
0.3
1.0C1.5
C
A
B
dt
dCS
1.0CA0.5C1.8
B
dt

Design of parallel reactionsk


1

A -B
- product distribution

k2

R
S

Example 2 Solution:
0.3
CA
R
dCR
1.0C1.5
A CB

1.5 0.3
0.5 1.8
A dCR dCS 1.0CA CB 1.0CA CB CA C1.5
B

a) Plug Flow

C Af C A0 (1 X A )

1
p
C A0 C Af

C Af

C A0

dC A

1 1 C A dC A
1 10 dC A
p

1.5

10
10 1 C A C A
9 1 1 C A0.5
C A CB

Design of parallel reactions


- contacting patterns Example 2 Solution:

1
p
9

1
p
9

10

dCA
1 CA0.5

10

CA0.5 x CA x 2

dCA 2xdx

10 dx
2xdx 2 10
1 dx 1
0.32

1 x 9
1 x

CRf (CA 0 CAf ) 9(0.32)

CRf 2.86 mol / l

CSf (1 )(CA 0 CAf ) 9(1 0.32)

CSf 6.14 mol / l

Design of parallel reactions


- contacting patterns Example 2 Solution:
b) Mixed Flow

m evaluated at CAf
exit

C A CB

CA
1

0.5
1. 5
0.5
C A CB
1 CA

C Rf (C A0 C Af ) 9(0.5)
CSf (1 )(C A0 C Af ) 9(1 0.5)

CRf 4.5 mol / l

CSf 4.5 mol / l

Design of parallel reactions


- contacting patterns Example 2 Solution:
c) Plug flow A Mixed flow B

1
p
C A0 C Af

C Af

C A0

dC A

19 dC

1 1 C AdCA
1 1 C AdCA
1 19
A
p

dC

A
1
0.87
1.5
1.5

19
19
1
19 1 C A CB
18 C A (1)
18
C A 1

C Rf (C A0 C Af ) 9(0.87 )
CSf (1 )(C A0 C Af ) 9(1 0.87 )

CRf 7.85 mol / l

CSf 1.15 mol / l

Design of parallel reactions


- contacting patterns Example 2 Solution:

Summary

Plug Flow:

R A 0.32

CRf 2.86 mol / l

Mixed Flow:

R A 0.5

CRf 4.5 mol / l

Plug A / Mixed B

R A 0.87

CRf 7.85 mol / l