Design of Chemical Reactors

Design of Chemical Reactors in
Recycle Systems
from
Plantwide Control Perspective
C.S. Bildea and A.C. Dimian
University of Amsterdam
1
Outline
Plantwide control
Isothermal reactor
One-reactant
Two-reactants
Adiabatic reactor
Non-adiabatic reactor
Plantwide control
control loops needed to operate an entire
process and achieve its design objectives
(Luyben)
not concerned with tuning and behaviour of
all control loops , but rather with the
control philosophy of the overall plant
(Skogestad)
3
Systemic approach
to Plantwide control
Chemical plant
Products
PF
ABC
AB
C
HX1
BC
Raw
materials
C
HX1
Heat-integrated reactors
Heat-integrated distillation
Unit
operation
Unit
operation
Azeotropic distillation
with solvent recycle
By-products
Purge
Connections
Systemic approach
to Plantwide control (2)
Local control unit operations, complex
structures
Plantwide control
Mass balance
Reactants
Products
Impurities
Reactor
Separation
Recycle
Energy balance
5
Reactor Separator Recycle

Recycle
Feed
Products
R
Gas
separation
Reactor
G-L
P
Liquid
separation
First-order reaction in
isothermal CSTR
Dimensionless mass balance
xA
g (x A , Da, Y , S ) = Da
=0
(1 x A ) (1 Y ,S (1 x A ))
Reactor: Plant Damkohler number:

V
Da = k
(first-order reaction)
FAV,A
Separation:
recovery / purity of reactants / products
7
Solution of mass balance equation

1
Y,S =0
0.5
Y,S=1
xA
Y,S=0.9
T
Y,S=1
Y,S=0.9
-0.5
-1
0.1
Dacr = 1
Da
10
8
Other one-reactant systems

PFR
nth-order (CSTR, PFR)
Purity < 1
Da > Da cr = 1
V
Da = k
FAV,A
Da > Da =
cr
V
,A
n 1
z B,P
z A,Y
9
Design and control (1)
FA
FC
V
LC
Separation
(a)
CC
CC
zB,P=1
10
Production change (1)

6
Da *=1.5
z A,Y=0.95
Da *=2
S /F *A
Da *=3
Da *=5
Da *=10
0
0.7
F A/F * A
1.3
11
Design and control (2)
S
LC
FC
Separation
(b)
CC
CC
zB,P=1
12
Production change (2)

10
z A,Y=0.95
Da =5
*
kV /(V F *A)
Da =3
5
*
Da =2
*
Da =1.5
*
Da =1.2
0
0.7
F A/F *A
1.3
13
Bifurcations
Transcritical
Perturbed Transcritical (1)
Perturbed Transcritical (2)
14
Two-reactants system
A + B Products
A feed
FC
A recycle
(f3, zA,3)
B recycle
(fRec, B)
LC2
LC1
A
P
f2, zA,2, zB,2

SP=fRec, B
FC
B feed
(fB,0)
LC3
(f5, zB,5)
LC4
Products
15
Multiple steady states

1
0.8
0.6
XA
1.2
1.5
0.4
2
3
5
0.2
f Rec,B=10
0
0
10
Da 15
20
25
(Dacr)min=4
16
Complex kinetics - polymerization

1
0.1
0.01
X
0.001
0.0001
0.00001
0
100
200
Da
300
400
500
17
Conclusions (1)
Plant Damkohler number
Feasibility Da > Dacr
Design
Control
Small reactor manipulate reaction conditions

Large reactor reaction conditions may be constant
18
Bifurcations
Transcritical
Pitchfork
19
FA
FC
V
LC
Separation
First-order reaction in adiabatic

CSTR
CC
CC
zA,3
zB,P=1
Model parameters:
Reactor
: Da
Separation
: zA,3
Reaction
Adiabatic temperature rise : B
Activation energy
:
20
Results
1
=25
z A3=1
0.8
B =0.2
B =0.16
B =0.12
0.6
B =0.08
B < 1/
0.4
0.2
=0.04=1/
0
0
0.5
Da
1.5
21
Which reactor ?
B=1/
1
z A3=1
2 steady states
0.8
0.6
Da LP
=40
0.4
30
20
0.2
no steady state
0
0
0.1
0.2
0.3
0.4
22
What conversion ?
1
z A3=1
0.8
Stable
=40
30
20
0.6
15
10
0.4
Unstable
0.2
0
0
0.05
0.1
0.15
0.2
0.25
23
FA
FC
Model parameters:
Reactor
Volume
: Da
Heat transfer capacity
:
Coolant temperature
: c
Separation
: zA,3
Reaction
Adiabatic temperature rise : B
Activation energy
:
V
LC
Separation
Non-adiabatic CSTR
CC
zA,3
CC
zB,P=1
24
Steady-state classification (1)

0.2
100
=40
(II)
(IV)
B =0.3
0
80
(III)
-0.2
60
(B)
20
(II)
40
60
80
100
(A)
40
20
-0.2
(I)
-0.4
-0.4
(I)
-0.6
0.2
=20
-0.8
0.4
0.6
0.8
B =0.1
-1
0
0.2
0.4
0.6
0.8
25
Steady-state classification (2)

0.02
=40
B =0.3
=20
c=-0.22
(I)
0.1
Da
10
0.1
Da
10
0.8
(III)
0.8
0.6
0.4 =40
B =0.3
0.2 =20
c=-0.05
0
0.001
0.4 =40
B =0.3
0.2 =20
c=0.05
0
0.001
(II)
0.6
0.01
0
0.001
0.8
0.6
0.1
Da
10
0.4 =40
B =0.3
0.2 =35
c=0.02
0
0.001
(IV)
0.1
Da
10
26
Dynamic classification (1)

Additional parameters:
Reactor
Separation
: Le
: S
Stability
Steady state analysis (slope condition):
- Instability can be detected
- Stability cannot be guaranteed
Dynamic condition : Hopf bifurcation
27

0.25
0.2
DH1
(I)
(VI)
0.15
ZH2
(VII)
c
0.1
(IV)
(V)
0.05
DH2
I2, ZH2
0
10
(I) 0.09
(II)
DH1, ZH2
I1, ZH1
100
0.085
1000
(VIII)
DH2
ZH1
(V)
0.08
(IV)
DH1, ZH2
I1,ZH1
(I)
0.075
65
(VII)
(IX)
70
28
75

X
(I)
(II)
(III)
(IV)
(V)
(VI)
(VII)
(VIII)
(IX)
Da
29
Conclusions
Recycle systems with reaction-separation
Unfeasible steady state

(reactant accumulation)
Feasible steady states through bifurcations
Da > Dacr
Unstable steady states

Lower limit on achievable conversion
Avoid design close to critical points

30

Design of Chemical Reactors

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Design of Chemical Reactors

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Design of Chemical Reactors in

Reactor Separator Recycle

Reactor: Plant Damkohler number:

Solution of mass balance equation

Other one-reactant systems

nth-order (CSTR, PFR)

Design and control (1)

Production change (1)

Design and control (2)

Production change (2)

Perturbed Transcritical (1)

Perturbed Transcritical (2)

f2, zA,2, zB,2

Multiple steady states

Complex kinetics - polymerization

Small reactor manipulate reaction conditions

First-order reaction in adiabatic

Steady-state classification (1)

Steady-state classification (2)

Dynamic classification (1)

Dynamic classification (2)

Dynamic classification (3)

Unfeasible steady state

Unstable steady states

Avoid design close to critical points

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