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CHAPTER 2
2.1 INTRODUCTION
The first principles model of the continuous stirred tank reactor and
the operating data (given in Table 2.1) as specified in the Pottman and Seborg
17
(1992) has been used in the simulation studies. Highly nonlinear CSTR is
common in chemical and petrochemical plants. In the process considered for
the simulation study as shown in Figure 2.1, an irreversible, exothermic
chemical reaction A B occurs in constant volume reactor that is cooled by
a single coolant stream. A feed material of composition CA0 enters the reactor
at temperature T0, at a constant volumetric flow rate q. Product is withdrawn
from the reactor at the same volumetric flow rate q. The mixing is assumed to
be efficient enough to guarantee homogeneity of the liquid content within the
reactor.
dCA
V =q CA0 -CA -VrA (2.1)
dt
expression is normally used for the rate of reaction. A first order reaction
results in the following expression
-E
rA =k oexp CA (2.2)
RT
where, ko is the reaction rate constant, E is the activation energy, R is the ideal
gas constant and T is the reactor temperature on an absolute scale (R, Rankine
or K, Kelvin).
dT -hA
V Cp =q C p T0 -T - - H VrA + c Cpc q c 1-exp Tc0 -T (2.3)
dt q c cC pc
equations (2.1) to (2.3), the mass balance and energy balance equations of the
CSTR are obtained as follows:
dCA q -E
= CA0 -CA -k oCAexp (2.4)
dt V RT
dT q - H -E c C pc -hA
= T0 -T - k oC A exp + q c 1-exp Tc0 -T (2.5)
dt V Cp RT Cp V q c c C pc
dCA q -E
=f1 CA ,T = CA0 -CA -k oCA exp (2.6)
dt V RT
dT q - H -E
=f 2 CA ,T = T0 -T - k oCA exp
dt V Cp RT
c C pc -hA
+ q c 1-exp Tc0 -T (2.7)
Cp V q c c Cpc
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2.3.2 Linearization
The nonlinear equations are linearized and cast into the state
variable form as follows:
x=Ax+Bu (2.8)
y=Cx (2.9)
x1 C -C
x= = A As (2.10)
x2 T-Ts
C A -C As
y= (2.11)
T-Ts
u1 q-q s
u= = (2.12)
u2 q c -q cs
where CAs, Ts, qs, qcs are the steady state values of effluent concentration,
reactor temperature, feed flow rate and coolant flow rate respectively.
f1 f1
A11 A12 x1 x2
A= (2.13)
A 21 A 22 f2 f2
x1 x2
21
where
q
A11 = - -K s (2.14)
V
H
A 21 =- Ks (2.16)
Cp
q H C As c pc c C pc -hA
A 22 = - + K s' + qc + q cexp (2.17)
V p Cp V Cp V qc Cp
where
E
K s =K oexp - (2.18)
RTs
E E
K 's =K oexp - (2.19)
RTs RTs2
f1 f1
B11 B12 u1 u2
B= (2.20)
B21 B22 f2 f2
u1 u2
where
CA0 -C As
B11 = (2.21)
V
B12 0 (2.22)
22
T0 -Ts
B21 = (2.23)
V
c C pc -hA hA -hA
B22 = Tc0 -Ts q c -exp 2
+ 1-exp
Cp V q c cC pc q c c Cpc q c c Cpc
(2.24)
1 0
C (2.25)
0 1
Table 2.2 Steady state operating points for the ideal CSTR
Table 2.3 Eigen values at the three operating points of the ideal CSTR
Operating Damping
Eigen value
point factor
1 -3.082.85i 0.733
2 -1.983.06i 0.544
3 -1.052.91i 0.340
Most of the reactors dealt with in the literature for control purposes
are perfectly mixed CSTRs and have been modeled as ideal CSTRs.
Unfortunately, in the real world, the behaviour of the real CSTR is very
different from that of an ideal CSTR. For an ideal CSTR, it is assumed that
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Figure 2.2 Nonideal CSTR (a) Real system; (b) Model system
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2.4.1.1 Bypassing
V
The space time is calculated as st = where, V is the volume of
q
the reactor and q is the total volumetric flow rate. A volumetric flow rate qb
bypasses the reactor while a volumetric flow rate qs enters the system volume
and q=qs+qb. The reactor system volume Vs is the well mixed portion of the
reactor, and the volumetric flow rate entering the system volume is qs. The
space time corresponding to the volume Vs and flow rate qs is calculated as
Vs
s = .Because some of the fluid bypasses, the flow passing through the
qs
system will be less than the total volumetric rate, qs<q and consequently s st
resulting in the slow decay of the transient associated with the product
concentration CA(t) than in the case of perfect operation.
Consider the first order reaction A B the bypass stream and the
effluent stream are mixed at point 2 in Figure 2.2 (b). From a balance on
species A around this point, there results
C A0 q b +C Asq s = C A q b +q s (2.26)
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Vs q
Let = and = b , Then
V q
C A = C A0 + 1- C As (2.28)
q s C A0 -q s C As -K s C As Vs =0 (2.29)
In terms of and ,
C A0 1- q
C As = (2.30)
1- q+ VK s
2
CA 1-
+ (2.31)
CA0 1- st Ks
dCA -E
Vs =qCA0 -qC A -Vs k o CAsexp (2.32)
dt RTs
27
dC A q -E
= C A0 -C A -k o C As exp (2.33)
dt Vs RTs
dCA q -E CA - CA0
= C A0 -CA -k o exp (2.34)
dt V T- T0 1-
R
1-
dC A q -E 1- C A - C A0
= C A0 -C A -k o exp (2.35)
dt V R T- T0 1-
dT - H -E
V =qT0 -qT-Vs k oC As exp
dt Cp RTs
c C pc -hA
+ q c 1-exp Tc0 -T (2.36)
Cp q c cC pc
dT q V - H -E
= T0 -T - s k o CAsexp
dt V V Cp RTs
c C pc -hA
+ q c 1-exp Tc0 -T (2.37)
CpV q c cC pc
28
dT q - H -E(1- ) C A - C A0
= T0 -T - k o exp
dt V Cp R T- T0 1-
c C pc -hA
+ q c 1-exp Tc0 -T (2.38)
CpV q c cC pc
dC A q -E 1- CA - C A0
=f1 x1 ,x 2 = C A0 -CA -k oexp (2.39)
dt V R T- T0 1-
dT q - H -E(1- ) C A - C A0
=f 2 x1 ,x 2 = T0 -T - k oexp
dt V Cp R T- T0 1-
c C pc -hA
+ q c 1-exp Tc0 -T (2.40)
CpV q c cC pc
The state space models of the nonideal CSTR can be obtained using
the equations (2.39) and (2.40).
The operating points for the local linear models of the nonideal
CSTR for both the cases are presented in Tables 2.4 and 2.5.
=1, =0.2
=0.8, =0.2
2.5 CONCLUSION
feed flow and coolant flow. The states are the effluent concentration and the
reactor temperature. The outputs are the states. For the design of multivariable
controllers, the nonlinear CSTR is represented as a family of local linear
models at the three chosen operating points. The mathematical model of the
nonideal CSTR is obtained by considering the nonideal mixing due to bypass
and dead space. The operating points of the nonideal CSTR are obtained for
two cases namely, (1) considering only the bypass and (2) considering both
the dead space and the bypass. The local linear models of the nonideal CSTR
are obtained for both the cases at the chosen operating points. In the following
Chapter, the multivariable control of an ideal CSTR using decentralized and
decoupled control schemes using conventional techniques is to be discussed.