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Ag Cg Eg !H l 2
1=3Ag Dg 1=3Eg !F l 3
273
274
[(Figure_1)TD$IG]
heating/cooling taking place in the process. That is, the energy balance
equations are ignored and only the mass balancerelated equations are solved.
This means that the dynamics of the compressor and reboiler stripper are
ignored but the accumulations of mass in the purge unit and the feed mixer
(holding tank) are considered. More details of the model simplification are
given in Ricker and Lee (1995).
dN i;s
yi;7 F 7 yi;8 F 8 F 9 xi;10 F 10 i A; B; . . . ; H 5
dt
dN i;m X 3
yij F j yi;5 F 5 yi;8 F 8 F *i yi;6 F 6 i A; B; . . . ; H 6
dt j1
dN i;p
1 fi xi;10 F 10 xi;11 F 11 i G; H 7
dt
where
N i;r RT r
Pi;r i A; B; C 9
V Vr
X
H
N i;r
V Lr 11
iD
ri
X
H
Ps Pi;s 12
iA
276 Product and Process Modelling: A Case Study Approach
where
N i;s RT s
Pi;s i A; B; C 13
V Vs
X
H
N i;s
V Ls 15
iD
ri
Constitutive (property) models
Bi
i T s Ai
Psat i A; B; C; D; E; F; G; H 16a
C i T s
Bi
i T r Ai
Psat i A; B; C; D; E; F; G; H 16b
C i T r
V Vs V s V Ls 18
X
H
N i;p
V Lp 19
iG
ri
N i;r
xi;r i D; E; . . . ; H 22
P
H
N i;r
iD
xi;10 0 i A; B; C 23
N i;s
xi;10 i D; E; . . . ; H 24
P
H
N i;s
iD
Chapter | 9 Tennessee Eastman Plant-wide Industrial Process 277
N i;p
xi;11 x GH i G; H 25
N G;p N H;p
Pi;s
yi;8 yi;9 i A; B; . . . ; H 30
Ps
Pi;r
yi;7 i A; B; . . . ; H 31
Pr
yi;5 F 5 fi zi;4 F 4 i A; B; C 12
yi;5 F 5 fi xi;10 F 10 i D; E; F 13
2413:7 p
F 6 b6 jjPm Pr jj 35
M6
5722:0 p
F 7 b7 jjPr Ps jj 36
M7
F 10 F p10 F *10 37
278 Product and Process Modelling: A Case Study Approach
Vapour pressure
(Antoine equation)
Molecular Liquid density
Compound weight (kg/m3) gr gs w A B C
279
280 Product and Process Modelling: A Case Study Approach
TABLE 4 State Variables at Four Steady-state Conditions (all units are kmol)
No. State Base case Mode 1 (50/50) Mode 2 (10/90) Mode 3 (90/10)
whether the process moves away from the steady states. It can be noted that
the steady state is maintained (during the short time simulated, as shown in
Figures 45); the small variation (note the scales) is probably due to the preci-
sion of the convergence criteria used. However, continuing the simulation for a
longer time scale (not shown in the figures) the system moves away from the
steady state, indicating an unstable state.
[(Figure_2)TD$IG]
FIGURE 2 State variables at the base case steady state (screen shot from ICAS-MoT).
de 1 dN G;p 1 dN H;p
22:58 43
dt rG dt rH dt
Tuning
1
Kp 45
0:3
t I 0:05 45
Controller: Stripper liquid product flow % (XMV(8))
Z
e
F 11 F 11;ref erence K p e dt 46
tI
or
dF 11 de e
K p 47
dt dt t I
Adding Eqs. 4247 to the model allows a closed-loop simulation to be per-
formed. The BDF-method from ICAS-MoT is used as the DAE-solver. The
obtained simulation results are shown in Figures 6-8, where it can be seen that
284 Product and Process Modelling: A Case Study Approach
[(Figure_3)TD$IG]
FIGURE 3 Function f (right-hand side of Eq 38) values at base case steady state (screenshot
from ICAS-MoT).
the actuator F11, reaches a steady-state value, while the measured (controlled)
output XMEAS_15 reaches the given set point = 65. The other outputs
(XMEAS_6, XMEAS_8 and XMEAS_12) also reach almost constant values
(note the small scale), thereby achieving the desired control objectives.
9.2.5. Discussion
Check the eigenvalues of the Jacobian matrices at the steady states to verify
which of the steady states are unstable. Perform a sensitivity analysis to identify
the most sensitive actuators (manipulated variables).
FIGURE 4 Dynamic behaviour of reactor outputs: (a) XMEAS_6 = reactor feed flow rate; (b) XMEAS_7 = reactor pressure.
285
286
[(Figure_5)TD$IG]
[(Figure_6)TD$IG]
Subscript
r reactor
s separator
m mixing zone
p product
L liquid
V vapour
i component
j stream
288
[(Figure_7)TD$IG]
FIGURE 8 Dynamic behaviour of reactor outputs: (c) XMEAS_8 = reactor liquid level; (d) XMEAS_12 = separator liquid level.
289
290 Product and Process Modelling: A Case Study Approach
Greek symbols
a adjustable parameter used in reaction rate equations (Eqs. 2628);
dimensionless with nominal value of unity
b used to adjust flow/pressure drop relation in Eqs. 3536 for streams
67 (nominal values are unity)
g activity coefficient
w stripping factor
y stoichiometric coefficient
r molar density, mol/m3
x GH purity of G and H in the product (as a fraction)
dN i;m X
yij F j yi;6 F 6 i A; B; . . . ; H 48
dt j1;2;3;5;8
dN i;r X3
yi;6 F 6 yi;7 F 7 nij Rj i A; B; . . . ; H 49
dt j1
dN i;s
yi;7 F 7 yi;8 F 8 F 9 xi;10 F 10 i A; B; . . . ; H 50
dt
dN i;p
1 fi xi;10 F 10 yi;4 F 4 xi;11 F 11 i G; H 51
dt
Energy balances for the mixer, reactor, separator and purge (unit operations
operating in the dynamic mode)
! !
X
H
dT m X XH
N i;m cp;vap;i Fj yi;j cp;vap;i T j T m 52
iA
dt j1;2;3;5;8 iA
Chapter | 9 Tennessee Eastman Plant-wide Industrial Process 291
! !
X
H
dT r X
H
N i;r cp;i F6 yi;6 cp;vap;i T 6 T r
iA
dt iA
53
X
3
Q_ r DH rk Rk
k1
! !
X
H
dT s X
H
N i;s Cpi F7 yi;7 Cpvi
iA
dt iA 54
T r T s H 0 V s Q_ s
! !
X
H
dT p XH
N i;p Cpi F 10 xi;10 Cpi T s T p
iG
dt iA
!
X H
F 4 yi;4 Cpi T 4 T p H 0 V p Q_ p
v
iA
!
X
H
F4 yi;4 cp;vap;i T 4 T p H 0 V p Q_ p 55
iA
N i;m
yi;6 i A; B; . . . ; H 57
P
H
N i;m
iA
3 Bi
Psat
i T 1x10 exp Ai i D; E; . . . ; H 61
Ci T r T *
292 Product and Process Modelling: A Case Study Approach
kmol p
F 7 1:5344 p jjPr Ps jj 63
s MPa
Enthalpy calculation
X
H
DH Rj H i ni;j H 0 F j ; with H i cp;i T r T * j 1; 2; 3 64
iA
Heat exchanger
Q_ r mCW;r cp;CW T CW;r;out T CW;r;in 65
" #
DT DT
Q_ r UAr
1;r 2;r
66
ln DT 1;r =DT 2;r
where
DT 1;r T r T CW;r;in ; DT 2;r T r T CW;r;out 67
Defined relations (reactor)
xi;r 0 i A; B; C 68
N i;r
xi;r i D; E; . . . ; H 69
P
H
N i;r
iD
Pi;r
yi;7 i A; B; . . . ; H 70
Pr
X
H
N i;r
V Lr 71
iD
ri
V Vr V r V Lr 72
Defined relations (separator)
X
H
Ps Pi;s 73
iA
where
N i;s RT s
Pi;s i A; B; C 74
V Vs
Chapter | 9 Tennessee Eastman Plant-wide Industrial Process 293
X
H
H0V s xi;10 F 10 H vap;i 77
iD
Q_ s mCW;s cp;CW T CW;s;out T CW;s;in 78
" #
DT 1;s DT 2;s
Q_ s UAs 79
ln DT 1;s =DT 2;s
where
DT 1;s T s T CW;s;in ; DT 2;s T s T CW;s;out 80
Pi;s
yi;8 yi;9 i A; B; . . . ; H 81
Ps
xi;10 0 i A; B; C 82
N i;s
xi;10 i D; E; . . . ; H 83
P
H
N i;s
iD
X
H
N i;s
V Ls 84
iD
ri
V Vs V s V Ls 85
X
H
H0V p yi;5 F 5 yi;4 F 4 H vap;i 86
iD
kJ
Q_ p 2258:717 m_ steam 87
kg
fi 1 i A; B; C 90
X
H
dN i;p
F 5 F 10 F 4 F 11 91
iG
dt
fi yi;4 F 4 xi;10 F 10
yi;5 i A; B; . . . ; H 92
F5
!
X
F
N i;p
xi;11 1 xj;11 i G; H 94
jD
P
H
N j;p
jD
Constitutive equations
42600 1:08 0:311 0:874
R1 a1 V Vr exp 44:06 PA;r PC;r PD;r 95
RT r
19500 1:15 0:370 1:00
R2 a2 V Vr exp 10:27 PA;r PC;r PE;r 96
RT r
59500
R3 a3 V Vr exp 59:50 PA;r 0:77PD;r PE;r 97
RT r
y gx; u; d 99
Chapter | 9 Tennessee Eastman Plant-wide Industrial Process 295
where Ni,r is the molar holdup of chemical i in the reactor, and Ni,s, Ni,m and Ni,p
are in the separator, feed mixing zone and product reservoir (stripper base),
respectively. The u vector contains 14 variables
where Fj is the molar flow rate of stream j, (TCW,s,in, TCW,r,in) and (TCW,s,out, TCW,
r,out) are the cooling water inlet and outlet temperatures in the reactor and
separator, respectively, and mCW,s and mCW,r are the cooling water flow rates
in the reactor and separator, respectively.
Liquid Liquid heat Vapour heat Heat of Vapour pressure (Antoine equation)
(continued)
298 Product and Process Modelling: A Case Study Approach
TABLE 8 (continued)
[(Figure_9)TD$IG]
FIGURE 9 Simulated steady-state values of some state variables (screenshot from ICAS-
MoT).
Chapter | 9 Tennessee Eastman Plant-wide Industrial Process 299
[(Figure_0)TD$IG]
FIGURE 10 Function f [right-hand side of Eq 98] values at steady state (screenshot from
ICAS-MoT).
FIGURE 12 Dynamic behaviour of reactor outputs: (c) XMEAS_8 = reactor liquid level; (d) XMEAS_9 = reactor temperature.
301
302 Product and Process Modelling: A Case Study Approach
the right-hand sides of the ODEs (functions f Eq. 98) are seen in Figures 9 and
10. The model as implemented and solved in ICAS-MoT is given in Appendix 1
(see ch-92-te-dynamic-complete.mot file).
The dynamic behaviour for four reactor outputs is seen in Figures 11 and 12,
where the simulation results were generated using the steady-state value as
initial condition. As can be seen from these figures the steady state almost
remains constant (for a short time); the small variation (note the scales on the
y-axis) is probably due to numerical accuracy of the computer.
9.3.5. Discussion
Check the eigenvalues of the Jacobian matrices at the steady states to verify
whether steady state is stable or unstable. Try to develop a control scheme to
keep the operation stable.
Subscript
r reactor
s separator
m mixing zone
p product (stripper)
L liquid
V vapour
i component
j stream
Greek symbols
a adjustable parameter used in reaction rate equations.
g activity coefficient
w stripping factor
y stoichiometric coefficient
r molar density, mol m3
REFERENCES
Downs, J.J., Vogel, E.F., 1993. A Plant-Wide Industrial Process Control Problem. Computers and
Chemical Engineering. 17, 245255.
Jockenhovel, T., Biegler, L.T., Wachter, A., 2004. Dynamic Optimization of the Tennessee Eastman
Process Using OptControlCentre. Computers and Chemical Engineering. 27, 15131531.
Ricker, N.L., Lee, J.H., 1995. Nonlinear Modelling and State Estimation for the Tennessee Eastman
Challenge Process. Computers and Chemical Engineering. 19, 9831005.
Sales-Cruz, M., 2006. Development of a computer aided modelling system for bio and chemical
process and product design, PhD-thesis. Technical University of Denmark: Lyngby, Denmark.