Chapter 9

Tennessee Eastman Plant-wide

Industrial Process Challenge
Problem*
The objective of this case study is to analyse and solve the published models for
Tennessee Eastman plant-wide industrial process challenge problem (Downs
and Vogel, 1993). Two versions of the models are used:
* simplified model by Ricker and Lee (1995);
* full model by Jockenhovel et al. (2004).
For both the cases, the model equations are presented and analysed, a solution
strategy is determined and, based on it, numerical solutions are obtained and
compared with the corresponding published results.

9.1. PROCESS DESCRIPTION

Figure 1 shows the flowsheet of the Tennessee Eastman (TE) process (Downs and
Vogel, 1993). There are four unit operations in this flowsheet: an exothermic two-
phase reactor, a flash separator, a reboiler stripper and a recycle compressor.
The TE process produces two products (G and H) and one undesired by-
product (F) from four reactants (A, C, D and E), according to the following
reduced reaction scheme:
Ag Cg Dg !Gl 1

Ag Cg Eg !H l 2

1=3Ag Dg 1=3Eg !F l 3

9.2. SIMPLIFIED MODEL

9.2.1. Process Model
The objective of this simplified version of the TE process model is to capture
the essential characteristics of the process assuming perfect control of the
*
Written in conjunction with Prof Mauricio Sales-Cruz

273
 274
[(Figure_1)TD$IG]

Product and Process Modelling: A Case Study Approach

FIGURE 1 The Tennessee Eastman process (Downs and Vogel, 1993).
Chapter | 9 Tennessee Eastman Plant-wide Industrial Process 275

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).

Mass balance equations (holdup of component i in each unit

operation)
dN i;r X3
yi;6 F 6  yi;7 F 7 nij Rj i A; B; . . . ; H 4
dt j1

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

Conditional equations (thermodynamic relations) for reactor

X
H
Pr Pi;r 8
iA

where

N i;r RT r
Pi;r i A; B; C 9
V Vr

Pi;r g ir xir Psat

i T r i D; E; . . . ; H 10

X
H
N i;r
V Lr 11
iD
ri

Conditional equations (thermodynamic relations) for separator

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

Pi;s g is xi;10 Psat

i T s i D; E; . . . ; H 14

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

Conditional equations (volume) for reactor, separator and purge

V Vr V r  V Lr 17

V Vs V s  V Ls 18

X
H
N i;p
V Lp 19
iG
ri

Conditional equations (pressure) for mixer

X
H
RT m
Pm N i;m 20
iA
Vm
Defined relations (mole fractions)
xi;r 0 i A; B; C 21

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

Constitutive (kinetic models) equations

 
42600 1:08 0:311 0:874
R1 a1 V Vr exp 44:06  PA;r PC;r PD;r 26
RT r
 
19500 1:15 0:370 1:00
R2 a2 V Vr exp 10:27  PA;r PC;r PE;r 27
RT r
 
59500  
R3 a3 V Vr exp 59:50  PA;r 0:77PD;r PE;r 28
RT r

Defined relations (vapour mole fractions)

N i;m
yi;6 i A; B; . . . ; H 29
P
H
N i;m
iA

Pi;s
yi;8 yi;9 i A; B; . . . ; H 30
Ps

Pi;r
yi;7 i A; B; . . . ; H 31
Pr

Vapour (mole fractions) mass balance on the stripper

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

yi;5 F 5 fi xi;10 F 10 fG 0:07; fH 0:04; i G; H 14

Conditional (flow) relations

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

9.2.2. Model Analysis

The model represented by Eqs. 436 can be written in nonlinear state variable
form as:
dx
x_ f x; u; d 38
dt
y gx; u; d 39

where x_ is the state vector, u is a vector of known inputs, d is a vector of

unmeasured inputs (disturbances and time-varying parameters) and y is the
output vector. There are 26 state variables represented by x:
 
xT N A;r ;N B;r ;.. .;N H;r ;N A;s ; N B;s ;. ..;N H;s ;N A;m ; N B;m ;... ;N H;m ;N G;p ;N H;p
40
where Ni,r, Ni,s and Ni,m are the molar holdups of compound i in the reactor, the
separator and the feed mixing zone, respectively; NGp and NHp are the molar
holdups of compounds G and H in the product reservoir (stripper base),
respectively.
The u vector has 10 variables:
 
uT F 1 ; F 2 ; F 3 ; F 4 ; F 8 ; F 9 ; F p10 ; F 11 ; T cr ; T cs 41
where Fj is the molar flow rate of stream j, while Tcr and Tcs are the reactor and
separator temperatures, respectively.
This model consists of 26 ODEs (Eqs. 47) and 100 explicit AEs (Eqs. 8
36). The variables are classified as: 26 dependent variables (Eq. 40), 100 explicit
unknown algebraic variables (Pr, Pi,r, VLr, Ps, Pi,s, VLs, VLp, VVr, R, Pm, xi,r, xi,10,
yi,5, yi,7, yi,6, yi,8, yi,9, Psat, F6, F7) and 83 parameters (NC, A, B, C, Mw, r, v, w,
g r, gs, VrT, VsT, VvT, Rg1, Rg2, b6, b7, a), and 10 known manipulated variables
and/or process-design variables (Eq. 41).

9.2.3. Specified Data

The operational scenarios involve four sets of operational conditions specified
through the set of manipulated variables vector u. This gives the base case as
well as three other steady states. The 83 parameters that need to be specified
are divided into three groups: (a) pure component property parameters (see
Table 1); (b) system parameters Rg1 = 8.314; Rg2 = 1.987; b6 = 1; b7 = 1;
a1 = ; a2 = ; a3 = ; (c) process parameters NC = 8; VrT = 36.8; VsT = 99.1;
VvT = 150.0.
The initial values of the 26 state variables are given in Table 2 and the known
values for the 10 input variables (vector u see Eq. 41) are given in Table 3.
 Chapter | 9
Tennessee Eastman Plant-wide Industrial Process
TABLE 1 Component Physical Properties (at 100  C)

Vapour pressure
(Antoine equation)
Molecular Liquid density
Compound weight (kg/m3) gr gs w A B C

A 2.0 - 1.0 1.0 1 - - -

B 25.4 - 1.0 1.0 1 - - -
C 28.0 - 1.0 1.0 1 - - -
D 32.0 299 1.0 1.0 1 20.81 -1444 259
E 46.0 365 1.0 1.0 1 21.24 -2114 266
F 48.0 328 1.0 1.0 1 21.24 -2144 266
G 62.0 612 1.0 1.0 0.07 21.32 -2748 233
H 76.0 617 1.0 1.0 0.04 22.10 -3318 250

279
280 Product and Process Modelling: A Case Study Approach

TABLE 2 Initial values of the state variables

State Variables Initial values

NA,m 51.7765845054
NB,m 14.3100440019
NC,m 42.4614755860
ND,m 11.1168681570
NE,m 30.1600733741
NF,m 2.66082574139
NG,m 5.68007202963
NH,m 2.67883480622
NA,r 4.71866674478
NB,r 1.97858299828
NC,r 3.43269304734
ND,r 0.18201838615
NE,r 10.3059014350
NF,r 1.25329368022
NG,r 66.0587540475
NH,r 67.8869026640
NA,s 28.8967272740
NB,s 12.1166696783
NC,s 21.0215212630
ND,s 0.09658565923
NE,s 5.90626944116
NF,s 0.71825343663
NG,s 20.4923456368
NH,s 16.1950690323
NF,p 21.7412698769
NG,p 17.7363533518

TABLE 3 Specified Values of the Manipulated Variables, u, at Four

Steady-state Conditions

No. Input Units Base case Mode 1 Mode 2 Mode 3

1 F1 kmol/h 11.2 11.991 13.848 8.703

2 F2 kmol/h 114.5 114.314 22.948 161.856
3 F3 kmol/h 98.0 96.471 174.679 15.216
4 F4 kmol/h 417.5 413.782 383.109 350.844
5 F8 kmol/h 1201.5 1441.021 1419.501 880.830
6 F9 kmol/h 15.1 9.497 16.164 3.895
7 F10 kmol/h 259.5 253.563 243.825 198.512
8 F11 kmol/h 211.3 210.885 194.638 179.021
9 Tcr deg C 120.4 123.074 124.213 121.911
10 Tcs deg C 80.1 92.078 90.259 83.396
Chapter | 9 Tennessee Eastman Plant-wide Industrial Process 281

9.2.4. Numerical Solution

Open-loop simulation results
The DAE system of equations representing the simplified model [Eqs. 436] is
solved with the BDF-method in ICAS-MoT (Sales-Cruz 2006) for the data
given in Tables 1-3. Simulated values of the state variables and some
output variables are given in Tables 4 and 5, respectively. These simulated
values show a good match with those reported by Ricker and Lee (1995).
Also, screenshots from ICAS-MoT highlighting the steady-state values of
some of the state variable, x, and the right-hand sides of the ODEs (func-
tions f) are seen in Figures 2 and 3. The model as implemented and solved
in ICAS-MoT is given in Appendix A (see ch-9-1-te-dynamic-ricker.mot
file).
The simulated transient responses for four reactor outputs are shown in
Figures 4 and 5 using the steady-state value as the initial condition to verify

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)

1 NAr 4.722 5.4536 6.0899 4.4549

2 NBr 1.9805 3.6096 1.9562 7.2066
3 NCr 3.4354 2.184 2.4319 1.47350
4 NDr 0.18231 0.11589 0.01556 0.30814
5 NEr 10.32 7.7163 9.9718 2.1277
6 NFr 1.2572 2.6844 3.2853 0.98381
7 NGr 66.06 59.961 10.927 123.15
8 NHr 67.87 58.48 95.896 14.052
9 NAs 28.895 28.565 32.039 25.365
10 NBS 12.119 18.906 10.291 41.032
11 NCs 21.022 11.44 12.794 8.3895
12 NDs 0.09656 0.0597 0.00822 0.18371
13 NEs 5.9052 4.2311 5.6803 1.3512
14 NFs 0.71938 1.4719 1.8714 0.62479
15 NGs 20.492 21.02 4.0319 41.458
16 NHs 16.195 16.612 28.679 3.6405
17 NAm 51.776 55.543 59.874 45.817
18 NBm 14.327 25.607 14.1070 43.208
19 NCm 42.455 32.324 33.449 27.935
20 NDm 11.1 10.409 2.206 19.708
21 NEm 30.156 28.351 43.729 5.9845
22 NFm 2.6668 7.1577 9.6449 2.0160
23 NGm 5.684 8.5369 1.7076 10.286
24 NHm 2.6807 4.1394 7.44 0.54295
25 NGp 21.741 21.741 4.3633 38.999
26 NHp 17.736 17.736 32.037 3.535
282 Product and Process Modelling: A Case Study Approach

TABLE 5 Output Variables at Four Steady States

No. Description Units Base Mode 1 Mode 2 Mode 3

case (50/50) (10/90) (90/10)

1 Reactor pressure kPa 2705.0 2800.0 2800.0 2800.0

2 Reactor liquid level % 75.0 65.0 65.0 65.0
3 Separator pressure kPa 2633.7 2705.7 2705.4 2764.9
4 Separator liquid level % 50.0 50.0 50.0 50.0
5 Stripper bottoms level % 50.0 50.0 50.0 50.0
6 Stripper pressure kPa 3102.2 3325.7 3327.5 2995.6
7 Reactor feed flow rate kscmh 42.27 47.27 46.03 32.04
8 A in the reactor feed mol% 32.19 32.28 34.78 29.47
(stream 6)
9 B in the reactor feed mol% 8.91 14.88 8.19 27.79
10 C in the reactor feed mol% 26.4 18.79 19.43 17.97
11 D in the reactor feed mol% 6.9 6.05 1.28 12.68
12 E in the reactor feed mol% 18.75 16.48 25.4 3.85
13 F in the reactor feed mol% 1.66 4.16 5.60 1.29
14 A in purge (stream 9) mol% 32.96 32.82 36.63 27.86
15 B in purge mol% 13.82 21.72 11.77 45.08
16 C in purge mol% 23.98 13.14 14.63 9.22
17 D in purge mol% 1.26 0.88 0.13 2.18
18 E in purge mol% 18.58 15.93 22.37 3.94
19 F in purge mol% 2.26 5.54 7.37 1.82
20 G in purge mol% 4.84 6.70 1.32 9.4
21 H in purge mol% 2.30 3.27 5.79 0.5
22 G in product (stream 11) mol% 53.72 53.84 11.66 90.1
23 H in product mol% 43.83 43.92 85.64 8.17

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.

Closed-loop Simulation Results

The model for a simple PI-controller is implemented, considering as measured
(controlled) output y, XMEAS_15 = stripper liquid product flow (with a step
change of + 15) and as manipulated (actuator) input u, F11 = stripper exit feed
flow rate. The control law used is as follows (for set point, Setpt 65):

Error and time derivative of the error

e Setpt  X meas 15 42
Chapter | 9 Tennessee Eastman Plant-wide Industrial Process 283

[(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).

Nomenclature (for Section 9.2)

d unmeasured input vector
F molar flow rate, kmol/h
F* molar pseudo-feed, kmol/h (added at the feed mixing point)
F10p apparent stream 10 flow rate, as indicated by the valve position, kmol/h
F10* bias adjustment for stream 10, kmol/h
Nij total molar holdup of i-th component in the j-th unit, kmol
 Chapter | 9
Tennessee Eastman Plant-wide Industrial Process
[(Figure_4)TD$IG]

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]

Product and Process Modelling: A Case Study Approach

FIGURE 5 Dynamic behaviour of reactor outputs: (c) XMEAS_8 = reactor liquid level; (d) XMEAS_12 = separator liquid level.
Chapter | 9 Tennessee Eastman Plant-wide Industrial Process 287

[(Figure_6)TD$IG]

FIGURE 6 Dynamic behaviour of input F11 = stripper exit feed flow-rate.

Psat vapour pressure

p partial pressure, kPa
P total pressure, kPa
Rnet molar rate of reaction, kmol/h
R gas constant = 1.987 cal/gmol-K in Eqs. 2628; otherwise it is equal to
8.314 kJ/kmol-K
t time, h
T absolute temperature, K
u known input vector
V total volume, m3
x state vector
x mole liquid fraction
y output vector
y mole vapour fraction
z mole feed fraction

Subscript
r reactor
s separator
m mixing zone
p product
L liquid
V vapour
i component
j stream
 288
[(Figure_7)TD$IG]

Product and Process Modelling: A Case Study Approach

FIGURE 7 Dynamic behaviour of reactor outputs: (a) XMEAS_15 = stripper level; (b) XMEAS_6 = reactor feed flow-rate.
 Chapter | 9
Tennessee Eastman Plant-wide Industrial Process
[(Figure_8)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)

9.3. FULL (PROCESS) MODEL

9.3.1. Process Model
This model considers the mass as well as the energy balance. The model
derivation and assumptions can be found in Jockenhovel et al. (2004).

Mass balances for the mixer, reactor, separator and purge

(unit operations operating in the dynamic mode)

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

Conditional equations (mixer)

X
H
RT m
Pm N i;m 56
iA
Vm

N i;m
yi;6 i A; B; . . . ; H 57
P
H
N i;m
iA

Conditional equations (reactor)

X
H
Pr Pi;r 58
iA
where
N i;r RT r
Pi;r i A; B; C 59
V Vr

Pi;r g ir xir Psat

i T r i D; E; . . . ; H 60

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

Flow rates as a function of pressure drop

kmol p
F 6 0:8334 p jjPm  Pr jj 62
s MPa

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

Pi;s gis xi;10 Psat

i T s i D; E; . . . ; H 75
Heat transfer

1k
k
Pm
T8 Ts 76
Ps

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

Defined relation (purge)

X
H
N i;p
V Lp 88
iD
ri
294 Product and Process Modelling: A Case Study Approach

Other defined relations

X
3
fi ai;j T s  273 i D; E; . . . ; H 89
j0

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

yi;4 F 4 xi;10 F 10  yi;5 F 5

xi;11 i D; E; F 93
F 11

!
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

9.3.2. Model Analysis

The above full-model can be written, in nonlinear state variable form as,
dx
x_ f x; u; d 98
dt

y gx; u; d 99
Chapter | 9 Tennessee Eastman Plant-wide Industrial Process 295

where x is the state vector, u is a vector of known (manipulated) inputs, d is a

vector of unmeasured inputs (disturbances and time-varying parameters) and y
is the output vector. There are 30 state variables arranged as follows:

xT N A;r ; N B;r ; . . . ; N H;r ; N A;s ; N B;s ; . . . ; N H;s ; N A;m ; N B;m ; . . . ;

N H;m ; N G;p ; N H;p ; T m ; T r ; T s ; T p  100

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

< mml : mathaltimg 105:gif}

uT F 1 ; F 2 ; F 3 ; F 4 ; F 8 ; F 9 ; F 10 ; F 11 ; T CW;r;in ;
> T CW;r;out ; T CW;s;in ; T CW;s;out ; mCW;r ; mCW;s  101

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.

9.3.3. Specified Data

The operational scenarios involve four sets of operational conditions specified
through the set of manipulated variables vector u. This gives the base case as
well as three other steady states. The 127 parameters that need to be specified are
divided into three groups (a) pure component property parameters (see Table 6);
(b) system parameters Rg1 = 8.314; Rg2 = 1.987; b6 = 1; b7 = 1; a1 = 1 ; a2 = 1;
a3 = 1 ; (c) process parameters NC = 8; VrT = 36.8; VsT = 99.1; VvT = 150.0.
The initial values of the 30 state variables are given in Table 7 and the known
values for the 14 input variables (vector u see Eq. 101) are given in Table 3 and
values of the additional variables are: TCW,r,in = 308.00 K; TCW,r,out =367.59 K;
TCW,s,in = 313.00 K; TCW,s,out = 350.45 K; mCW,s = 93.37 mol/s; mCW,s = 49.37
mol/s. The known measured values for a selection of the output variables are
given in Table 8. The simulated values for these 23 variables are compared to
these measured values to validate the model.
 296
TABLE 6 Component Physical Properties (at 100  C)

Liquid Liquid heat Vapour heat Heat of Vapour pressure (Antoine equation)

Product and Process Modelling: A Case Study Approach

Molecular density capacity capacity vaporisation
Compound weight (kg/m3) (kJ/kg. C) (kJ/kg. C) (kJ/kg) A B C
A 2.0 - - 14.60 - - - -
B 25.4 - - 2.04 - - - -
C 28.0 - - 1.05 - - - -
D 32.0 299 7.66 1.85 202 20.81 -1444 259
E 46.0 365 4.17 1.87 372 21.24 -2114 266
F 48.0 328 4.45 2.02 372 21.24 -2144 266
G 62.0 612 2.55 0.712 523 21.32 -2748 233
H 76.0 617 2.45 0.628 486 22.10 -3318 250
Chapter | 9 Tennessee Eastman Plant-wide Industrial Process 297

TABLE 7 Initial values of the state variables

State variables Initial values

NA,m 48.83
NB,m 13.49
NC,m 40.03
ND,m 10.44
NE,m 28.48
NF,m 2.51
NG,m 5.40
NH,m 2.51
Tm 359.25
NA,r 5.20
NB,r 2.29
NC,r 4.65
ND,r 0.12
NE,r 7.45
NF,r 1.15
NG,r 56.10
NH,r 59.80
Tr 393.55
NA,s 27.50
NB,s 12.10
NC,s 24.60
ND,s 0.0836
NE,s 5.86
NF,s 0.901
NG,s 24.10
NH,s 19.80
Ts 353.25
NG,p 20.40
NH,p 17.30
Tp 338.85

TABLE 8 Elements of the Output Vector (y)

Downs and Vogel

No. Description Units ( XMEAS)
1 Reactor pressure kPa 7
2 Reactor liquid level % 8
3 Separator pressure kPa 13
4 Separator liquid level % 12
5 Stripper bottoms level % 15
6 Stripper pressure kPa 16

(continued)
298 Product and Process Modelling: A Case Study Approach

TABLE 8 (continued)

Downs and Vogel

No. Description Units ( XMEAS)
7 Reactor feed flow rate kscmh 6
8 A in the reactor feed (stream 6) mol% 23
9 B in the reactor feed mol% 24
10 C in the reactor feed mol% 25
11 D in the reactor feed mol% 26
12 E in the reactor feed mol% 27
13 F in the reactor feed mol% 28
14 A in purge (stream 9) mol% 29
15 B in purge mol% 30
16 C in purge mol% 31
17 D in purge mol% 32
18 E in purge mol% 33
19 F in purge mol% 34
20 G in purge mol% 35
21 H in purge mol% 36
22 G in product (stream 11) mol% 40
23 H in product mol% 41

[(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).

9.3.4. Numerical Solution

Open-loop Simulation Results
The DAE system of equations representing the simplified model [Eqs. 4897] is
solved with the BDF-method in ICAS-MoT (Sales-Cruz, 2006), for the data
given in Tables 6-8. The simulated results as screenshots from ICAS-MoT
highlighting the steady-state values of some of the state variable, x, values and
 300
[(Figure_1)TD$IG]

Product and Process Modelling: A Case Study Approach

FIGURE 11 Dynamic behaviour of reactor outputs: (a) XMEAS_6 = reactor feed flow rate; (b) XMEAS_7 = reactor pressure.
 Chapter | 9
Tennessee Eastman Plant-wide Industrial Process
[(Figure_2)TD$IG]

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.

Nomenclature (for 9.3)

Cp,CW specific heat capacity of cooling water, kJ kg1 K1
Cp,i specific heat capacity of component i in liquid phase, kJ kg1 K1
Cp,vap,i specific heat capacity of component i in vapour phase, kJ kg1 K1
d unmeasured input vector
Fj molar flow rate of stream j, kmol h1
Hi enthalpy of component i, kJ
H0 reference enthalpy, kJ
DHRj exothermic heat, kJ kmol1
mCW,r cooling water flow rate reactor, kg h1
mCW,s cooling water flow rate separator, kg h1
Nik total molar holdup of component i in the unit k (k = m, r, s, p), kmol
Pi,j partial pressure of component i in the unit k (k = m, r, s, p), kPa
Pisat saturation pressure of component i, kPa
Pk total pressure in the unit k (k = m, r, s, p), kPa
Qk energy removed from the unit k (k = r, s, p), kW
Ri reaction conversion component i, kmol h1
R gas constant
t time, h
Tcw,k,in cooling water inlet temperature in the unit k (k = r, s), K
Tcw,k,out cooling water outlet temperature in the unit k (k = r, s), K
Tk temperature of the unit k (k = m, r, s, p), K
T* absolute temperature, K
UA specific heat transfer rate, kW K1
u known input vector
Vk total volume of the unit k (k = m, r, s, p), m3
VL,k liquid volume in the unit k (k = m, r, s, p), m3
Chapter | 9 Tennessee Eastman Plant-wide Industrial Process 303

VV,k vapour volume in the unit k (k = m, r, s, p), m3

xi,k mole liquid fraction of component i in the unit k (k = m, r, s, p)
x state vector
yi,k mole vapour fraction of component i in the unit k (k = m, r, s, p)
y output vector

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.