Chemometrics and Intelligent Laboratory Systems 135 (2014) 213222

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Chemometrics and Intelligent Laboratory Systems

journal homepage: www.elsevier.com/locate/chemolab

Experimental and modeling of a non-isothermal CSTR to nd out

parameter regions and conditions causing input multiplicity for acid
catalyzed hydrolysis of acetic anhydride
N.S. Jayakumar a,, Merlin Thomas b, J.N. Sahu a,c,
a
b
c

Department of Chemical Engineering, Faculty of Engineering, University of Malaya, Kuala Lumpur 50603, Malaysia
Institute of Science & Technology for Advanced Studies & Research (ISTAR), Vallabh Vidyanagar, Anand, Gujarat 388120, India
Petroleum and Chemical Engineering Programme Area, Faculty of Engineering, Institut Teknologi Brunei, Tungku Gadong, P.O. Box 2909, Brunei Darussalam

a r t i c l e

i n f o

Article history:
Received 22 April 2013
Received in revised form 21 April 2014
Accepted 21 April 2014
Available online 26 April 2014
Keywords:
Outputinput multiplicity
CSTR
Open loop behavior
Parametric sensitivity

a b s t r a c t
The continuous stirred tank reactor (CSTR) presents challenging operational problems due to its complex
open-loop non-linear behavior such as input and output multiplicities, ignition/extinction, parametric sensitivity,
non-linear oscillations and perhaps even chaos. Many researchers have studied the non-linear dynamic behavior
of CSTR for several reaction schemes from a theoretical stand point. The present experimental studies are carried
out to identify the existence of input multiplicity in a non-isothermal CSTR. The sulfuric acid catalyzed hydrolysis
of acetic anhydride reaction system has been chosen and the regions of existence of input multiplicity are theoretically identied. The reactor showed the same steady state temperature for two input ow rates of reaction
mixtures into the CSTR reactor and thus conrming the existence of input multiplicity for the sulfuric acid
catalyzed hydrolysis of acetic anhydride reaction system. It was observed that the time taken by the reactor
was too long at a low feed ow rate of reaction mixture than at a higher feed ow rate reaction mixture. The
model simulations of steady state temperatures were in close agreement with experimental data for the above
feed ow rates of reaction mixture conditions.
2014 Elsevier B.V. All rights reserved.

1. Introduction
Non-linear phenomenon such as multiplicities and stability
problems are encountered in industrial chemical reactors, but apparently proprietary considerations have prevented the disclosure
of data and specic reaction. The occurrence of multiple steady
states under the same operating conditions of a reactor is known
as output multiplicity whereas input multiplicity means that more
than one set of input variables causes the same output variable.
Non-linearity is a necessary condition for input and output multiplicities [1]. Non-linear systems can show a variety of dynamic patterns ranging from stable operation at a unique stable steady state,
to unstable operation such as unstable steady state, oscillations,
and chaos. In general input multiplicities occur due to the presence
of competing effects in non-linear process or due to non-ideal
mixing with certain non-linear reaction kinetics or due to the recycle structure of non-linear processes. Constraints placed on the

Corresponding author. Fax: +60 3 79675319.

Correspondence to: J.N. Sahu, Department of Chemical Engineering, Faculty of
Engineering, University of Malaya, Kuala Lumpur 50603, Malaysia. Fax: +60 3 79675319.
E-mail addresses: nsj552000@yahoo.com (N.S. Jayakumar), jay_sahu@yahoo.co.in
(J.N. Sahu).

http://dx.doi.org/10.1016/j.chemolab.2014.04.017
0169-7439/ 2014 Elsevier B.V. All rights reserved.

manipulated variable of non-linear process and increasing the number of controlled variables can eliminate input multiplicities [2].
However, one of the major difculties in dealing with non-linear
systems is the lack of unied mathematical theory for representing
various non-linear system characteristics. Most of the recent advances in the study and understanding of multiplicity in chemically
reacting systems have resulted from the applications of catastrophe
and singularity theories to situations which are relatively simple, i.e.
the number of intrinsic state variables involved are limited [3,4]. The
CSTR lumped reactor system with control has been reported by numerous researchers [512] investigating various aspects such as stabilization of CSTR, state and parameter estimation methods, design
and operability of the CSTR reactor and control of non-linear CSTR.
In physical terms, due to the existence of input multiplicity phenomena, there may be more than one set of manipulated variables
which can produce the same desired steady state in CSTR. Input
multiplicity can occur if at least one variable appears in a nonlinear fashion in the governing equation. The bounds on the values
of the manipulated variables have a strong impact on the number
of feasible inputs and a decrease in the range of values of the manipulated variable tends to decrease the number of possible inputs for a
specied output. Although there have been developments in the understanding of the dynamic behavior of CSTR including investigations on the existence of input multiplicity for several reaction

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N.S. Jayakumar et al. / Chemometrics and Intelligent Laboratory Systems 135 (2014) 213222

ST-2

ST-1

ST-3

CHT-2

CHT-1

R-1

CHT-3

R-2

R-3

T-2
T-1

C-2
C-1

TS
C-3

CSTR

Fig. 1. Experimental set up used for conducting reaction experiments.

schemes from a theoretical standpoint [14,1318,20], very few reaction systems have been tried experimentally [1820]. In the absence of a unied mathematical theory can represent various nonlinear system characteristics, it will be appropriate to study the

input multiplicity behavior of CSTR by means of experiments and

to link the acquired data to theoretical considerations for existence,
detection and elimination of operating problems. Multiplicity analysis provides practical guidance for process redesign, including

Table 1
Process variable combinations causing input multiplicity.
Tf
(C)

CAf
(mol/m3)

Ua W/C

q 106 m3/s

qc 106 m3/s

20.2

0.0027

38.34

0.2387

5000

20.2

0.0027

38.34

0.2865

6000

31.3

0.072

36.96

0.2300

5000

31.3

0.072

36.96

0.2760

6000

16.930
3.360
24.850
2.290
23.810
0.478
30.760
0.370

1.3110
1.3923
1.3110
1.4595
1.2131
1.3790
1.2131
1.4840

0.4367
0.0887
0.6700
0.0615
2.722
0.0546
3.510
0.0422

10.50
12.00
10.50
13.33
8.833
11.67
8.833
13.83

N.S. Jayakumar et al. / Chemometrics and Intelligent Laboratory Systems 135 (2014) 213222

215

Table 2
The results of batch heat loss experiments to obtain heat transfer coefcient at different coolant ow rates.
Cooling water ow rate, qc 106 m3/s

Initial temperature of the reactor, C

Room temperature, C

Overall heat transfer coefcient, Ua (W/C)

1.333
1.667
3.667
5.167
7.167
9.167
10.500
12.083
16.667

80
80
80
80
80
80
80
80
80

34
34
34
34
34
34
34
34
34

0.5190
0.5743
11.73
13.68
15.85
17.71
18.83
20.05
23.05

eliminating difcult operating regions associated with the input and

output multiplicities. These reasons justify the need for a systematic
experimental study of a non-isothermal CSTR for its multiplicity
behavior.

2. Experimental set-up and technique

The experimental set-up which includes a 330 ml stainless steel
reactor with four bafes and a stainless steel cooling coil of six turns
and a diameter 63 mm is as illustrated in Fig. 1. The inlet temperatures
of the feed reactants and the reactor temperatures were measured with
the help of a RTD probe. The rpm of the stirrer was checked at regular
intervals using a tachometer and the speed (rpm) was regulated by
varying voltage to the stirrer motor. The constant temperature bath
and the feed tubes were insulated with Plaster of Paris to minimize
the heat losses. The reactants were allowed to ow through the coils
in the bath and through the feed lines into the collection tank for sufcient amount of time such that the reactants attained steady state feed
temperatures. When feed temperatures had attained constant values,
the drain tube of the reactor was closed. The reactor was then lled at
the same time with the feed mixtures with known composition and
inlet temperatures up to the level of the outlet ow tube. The stirring
was done immediately after pouring the reacting liquids into the reactor. The stirrer speed of the motor was regularly measured with the
help of a tachometer and was kept constant at 820 rpm with the help
of a variac connected to the motor. At the time of pouring reactants
into the reactor, the levels of liquid in the feed storage tanks were
noted. Empty overow collection tanks were used to collect the overow from the constant head feed tanks. The experimental runs were
allowed to continue till the temperature of the reactor reached a steady
value. The transient reactor temperature with time readings is noted till
the CSTR reactor reached steady state reactor temperature. A series of
experimental runs were conducted for different feed concentrations,
feed temperature and other kinetic parameters, which were identied
theoretically for existence of input multiplicity. For each experimental
run, the time temperature prole of the reaction system was recorded
until steady state was obtained. The experimental conditions used in
present study are shown in Table. 1.

Batch heat loss experiments were carried out to determine the

overall heat transfer coefcients at various coolant ow rates owing
through cooling coil. The reactor was lled with preheated water of
80 C and stirred at 820 rpm. The time versus temperature fall of the
CSTR vessel due to heat loss were noted. From the slope of the plot of
time versus log of the difference between temperature of the reactor
and air temperature, the overall heat transfer coefcient Ua for a cooling
water ow rate qc was determined. Several heat loss experiments were
conducted and an empirical equation relating Ua and qc is obtained
from overall heat transfer coefcient and the coolant ow rate as
shown in Table 2. An empirical correlation relating overall heat transfer
coefcient, Ua with coolant ow rate, qc using the various experimental
data is given as
5

Ua 2:290  10

qc

0:45

Table 3
List of dimensionless variables.
Items

Name

Vk0 expqE=RT
f
CAf
H
Cp T f

Dimensionless ow rate

p Vk0

Ua
expE=RT f

f
TT
Tf

X exp 1=
RTE f

Dimensionless heat of reaction or exothermicity parameter

Dimensionless heat transfer coefcient
Dimensionless reactor temperature
Dimensionless temperature variable
Dimensionless activation energy

Fig. 2. Region of existence of input multiplicity (Tf = 20.2 C, = 0.235, = 37.85,

= 16.93 & 3.36, CAf = 5000 mol/m3, C = 0.0027).

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N.S. Jayakumar et al. / Chemometrics and Intelligent Laboratory Systems 135 (2014) 213222

manipulating the ow rate (q) and the coolant ow rate (qc), both the
manipulated variables q and qc should satisfy steady state mass and
energy balance equations for any feasible values of concentration (CA)
and absolute temperature (T), hence input multiplicity cannot occur
for any set of parameters.
The mathematical equations characterizing the dynamic behavior of
the non-isothermal CSTR are modeled using the unsteady state material
and energy balance and Arrhenius relation. The unsteady state material
and energy balance for a single CSTR are given as:
V

dCA
qCAf CA Vk CA
dt

Cp V

dT
qCp T f T UaTc T VH k CA :
dt

The temperature dependency of rate of reaction according to

Arrhenius theory is k = k0 exp(E/RT).
The steady state material and energy balances for the reaction in
study are:
qCAf CA Vk0 expE=RTCA 0

q Cp T f T UaTc T VHk0 expE=RTCA 0:

Consider a case where the temperature in the reactor is controlled

by manipulating the ow rate, by eliminating the concentration term

Fig. 3. Region of existence of input multiplicity (Tf = 24 C, = 0.235, = 37.85,

= 20.74 & 1.65, CAf = 5000 mol/m3).

3. Reaction system
The acid catalyzed hydrolysis of acetic anhydride was chosen for
studying the dynamics of a CSTR reactor. The overall hydrolysis of acetic
anhydride reaction can be represented as:
H2 SO4 Catalyst

CH3 CO2 O H2 O 2CH3 COOH :

Acetic anhydride

acetic acid solvent

Acetic acid

The mechanisms of the hydrolysis of acetic anhydride are well documented. It is well known that the reaction proceeds via a substitution,
in which an attacking nucleophile replaces a substituent group on the
central carbon.
The reaction is of the rst order with respect to acetic anhydride. The
batch reaction kinetic equation for acid catalyzed hydrolysis of acetic
anhydride as given by [20] is:


10
rA 1:85  10 Cs exp11; 243:9=T CA

and

H 58520 RTD probe J=mol:

The kinetic parameters of the above reaction system obtained by
[20] are used to simulate the CSTR reactor.
4. Modeling of non-isothermal CSTR
The conditions necessary for the occurrence of input multiplicity
for the system under study are theoretically determined using the
same approach as that of a previous work by [2]. They have predicted
methods for the determination of parametric regions with a number
of solutions. To control the exit temperature and the conversion through

Fig. 4. Region of existence of input multiplicity (Tf = 31.3 C, = 0.235, = 37.85,

= 23.81 &0.478, CAf = 5000 mol/m3, C = 0.072).

24.16
24.72
24.35
25.03

ETT f

CAf
e RTT f
1
CA


X

23.00
23.00
24.92
25.10

Steady state
predicted temp (C)
Expt. steady state
temperature (C)
Steady state predicted
temp (C)
Expt. steady state
temperature (C)

217

from Eqs. (6) and (7) and by introducing dimensionless variables as and
can be rewritten and shown in Table 3.
The mass balance in dimensionless can be written as:


1 ETTTT f
f
:
e

The energy balance is rearranged to get the dimensional form

equations into dimensionless form as given below:

RTE

T f e

RTE

T f e

24.24
24.57
24.62
25.02

40.0
40.0
32.0
32.0

N.S. Jayakumar et al. / Chemometrics and Intelligent Laboratory Systems 135 (2014) 213222

RTE

RTE

T e

T e

TC e

TC e

E
RT

T BT f e

T BT f e

E
RT

CA
0
CAf

10a




1

0
1 e

10b
RTE
f

T f e

T e

TC e

E
RT

BT e
0
T  f
X
1

10c

23.00
23.00
24.92
25.10

RTE
f

BT eRT
0
T  f
X
1

Expt. steady state temperature (C)

T f e

T e

TC e

T




T

BeRT
0
c 1
1

e X
Tf






BX
c 1
1
0

10d

10e

10f

BX
c
0

10g

BX
c
0

10h




BX

C
0

10i

BX
C
0
X

10j

10.50
12.00
10.50
13.33
0.4367
0.0937
0.6700
0.0615
5000
5000
6000
6000

q 106 m3/s

qc 106 m3/s

23.00
23.00
24.96
25.10

CAf mol/m3

Process variables

24.2
24.6
24.7
25.0

20.6

Steady state
predicted temp (C)

20.6

20.2
Feed temperature, Tf (C)

Initial reactor temperature, Ti (C)

Table 4
Steady state temperature of CSTR under various process conditions (Tf = 20.2 C).

X
0:
X

11

A single steady state equation relating the dimensionless temperature T and the dimensionless ow rate is obtained by eliminating
the concentration term from the steady state mass and energy balance
equations for a perfectly mixed CSTR for a rst order exothermic reaction is as in Eq. (11).

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N.S. Jayakumar et al. / Chemometrics and Intelligent Laboratory Systems 135 (2014) 213222

Table 5
Steady state temperature of CSTR under various process conditions (Tf = 31.3 C).
Feed temperature, Tf (C)

31.3

Initial reactor temperature, Ti (C)

32.0

Process variables

Expt. steady state temperature (C) Steady state predicted temp. Expt steady state temperature (C) Steady state predicted temp.
(C)
(C)

CAf mol/m3 q 106 m3/s qc 106 m3/s

5000
5000
6000
6000

2.7210
0.0546
3.5160
0.0422

0.8333
11.6667
8.8333
13.8333

32.0

44.1
44.0
56.2
56.0

40.0

37.69
38.46
37.30
37.88

5. Results and discussion

5.1. Input multiplicity region
Eq. (11) is quadratic in , so that at most two values of may exist for
any specied dimensionless temperature, . This implies the existence
of a single steady state temperature for two manipulating ow rates.
Using the kinetic parameters for the hydrolysis of acetic anhydride
[20], the dimensionless quantities are calculated for various conditions.
The regions of existence of input multiplicity were identied for various
combinations of process variables (temperature, concentration and
kinetic parameters) by drawing graphs of (dimensionless heat
transfer coefcient) versus (dimensionless temperature). The input
multiplicity region enclosed within the curve is shown in Figs. 24.
For a different feed reactor temperature the region of input multiplicity
is plotted and is shown in Figs. 24 for different feed reactor temperatures of 20.2, 24.0 and 31.3 C respectively. For the reaction experiments
on the hydrolysis of acetic anhydride in non-isothermal CSTR, the process variables causing input multiplicity are calculated theoretically
from the above region and these are summarized in Table 1.

5.2. Experimental study

The experiments concerning the sulfuric acid catalyzed hydrolysis of
acetic anhydride reaction were carried out with various process variables chosen to observe the existence of input multiplicity, as shown
in Table 1. In each case, the input multiplicity was conrmed by observing the same steady state temperature in CSTR with two different feed
ow rates (q values), while all other variables remained the same, and

40.0

44.1
44.0
56.25
56.10

36.88
37.50
37.02
37.52

the experimental values of steady state temperature for the two feed
ow rates were also found to be in close agreement.
The experimental results showed that the effect of initial reactor
temperature was almost nil on the steady state temperature. For the
three different initial reactor temperatures, the value of steady state
temperature was almost the same. For feed temperature 20.2 C, the
experiments were carried out at three different initial reactor temperatures of 20.6 C, 32 C and 40 C. The steady state temperature for each
case was almost the same at a particular feed concentration as shown in
Tables 4 and 5. Similar results were obtained for the other feed temperatures. The time versus temperature prole of reaction for all the sets of
process variable combinations were also recorded. The transient time
versus temperature prole obtained for the experiments representing
different feed temperatures and feed concentrations are shown in
Figs. 5 and 6. For a particular process variable combination where
input multiplicity was observed, the time taken for reaching the steady
state temperature was much higher for the lower ow rate in comparison to the higher ow rate. For example, in case of Tf = 20.2 0C,
Ti = 40 C, CAf = 6000 mol/m3 (Fig. 5), the steady state temperature
for q = 0.0615 106 m3/s was obtained after 300 min whereas for
q = 0.67 106 m3/s, the steady state is reached before 50 min. The
same observation was obtained when the initial reactor temperature,
Ti = 32 C at feed temperature Tf = 24 C and feed concentration of
acetic anhydride CAf = 5000 mol/m3 conditions, as shown in Fig. 6.
The experimental time taken to steady state temperatures for feed temperatures, Tf, = 20.2 C, 24 C and 31.3 C are as shown in Tables 68.
It was observed that the time taken by the reactor was too long at a
low feed ow rate of reaction mixture than at a higher feed ow rate reaction mixture and is shown in Tables 68. It was found experimentally
that the reactor started with higher initial temperatures that reached

40
q = 0.670x 10-6m3/s
q = 0.062x 10-6m3/s

Temperature, T (C)

Temperature, T (C)

35

30

25

20

q = 0.889x 10-6m3/s
q = 0.072x 10-6m3/s

37

100

200

300

400

Time, t (min)
Fig. 5. Time versus temperature prole (Tf = 20.2 C, Ti = 40 C, CAf = 6000 mol/m3 and
q = 0.0615 106 m3/s and 0.670 106 m3/s).

32

27

22

50

100

150

200

250

300

Time, t (min)
Fig. 6. Time versus temperature prole (Tf = 24 C, Ti = 32 C, CAf = 5000 mol/m3 and
q = 0.0715 106 m3/s and 0.8880 106 m3/s).

Table 6
Experimental time taken to reach steady state reactor temperature (Tf = 20.2 C, CAf = 5000 mol/m3).
Feed temperature, Tf (C)

20.2
20.6

32.0

40.0

Process variables

Expt. time taken to reach steady state (min)

Expt. time taken to reach steady state (min)

Expt. time taken to reach steady state (min)

80
166
62
380

34
112
22
126

20
86
18
98

CAf mol/m3

q 106 m3/s

qc 106 m3/s

5000
5000
6000
6000

0.4367
0.0937
0.6700
0.0615

10.50
12.00
10.50
13.33

Table 7
Experimental time taken to reach steady state reactor temperature (Tf = 24 C, CAf = 5000 mol/m3).
Feed temperature, Tf (C)

24

Initial reactor temperature, Ti (C)

25

32.0

40.0

Process variables

Expt. time taken to reach steady state (min)

Expt. time taken to reach steady state (min)

Expt. time taken to reach steady state (min)

51
294
42
372

20
82
14
200

18
130
10[p
136

CAf mol/m3

q 106 m3/s

qc 106 m3/s

5000
5000
6000
6000

0.8997
0.0715
1.21
0.0528

9.833
11.66
9.833
12.0

N.S. Jayakumar et al. / Chemometrics and Intelligent Laboratory Systems 135 (2014) 213222

Initial reactor temperature, Ti (C)

219

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N.S. Jayakumar et al. / Chemometrics and Intelligent Laboratory Systems 135 (2014) 213222

Table 8
Experimental time taken to reach steady state reactor temperature (Tf = 31.3 C, CAf = 5000 mol/m3).
Feed temperature, Tf (C)

31.3

Initial reactor temperature, Ti (C)

32.0

40.0

Expt. time taken to reach steady state (min)

Expt. time taken to reach steady state (min)

30
348
12
412

12
100
10
112

Process variables
CAf mol/m3

q 106 m3/s

qc 106 m3/s

5000
5000
6000
6000

2.7210
0.0546
3.5160
0.0422

0.8333
11.6667
8.8333
13.8333

steady state temperature faster than that with the low initial reactor
temperature.
5.3. Parametric variation
CSTR parameters such as cooling water ow rate, feed ow rate of
reaction mixture, reactor feed temperature, and initial reactor temperature were varied in the region of input multiplicity by simulating the
dynamic equations for parameter sensitivity in CSTR.
The governing equations of the CSTR reactor system with i = qc as
parameter can be rewritten as:
dCA qCA0 CA

kCA F1
dt
V

12

qCp T f T
dT
HVkCA
UaTTc


 F2

dt
VC w
VC w
VC w
p

13


 




d dT
F2 F2 F2 dCA dT dTc T
F2

dt dqc
CA T Tc dqc dqc dqc
qc

16


 




d dTc
F3 F3 F3 dCA dT dTc T
F3

dt dqc
CA T Tc dqc dqc dqc
qc

17

The above Eqs. (12)(17) were simulated and the results of simulations for parameter such as q, qc, Tf, Ti were shown in Fig. 7. The variation
of parameters such as q, qc and Ti within the range of 2% about the operating conditions do not show any signicant effect on both CSTR steady
state and transient reactor temperatures shown in Figs. 79. But however
the feed temperature seems to affect the transient reactor temperatures
and steady state temperature is greatly inuenced by a variation in
reactor feed temperature, Tf, as shown in Fig. 10.
6. Conclusions

dTc UaTTc qc
 Tcin Tc F3

dt
Vc
Vc c Cpc

14


 




d dCA
F1 F1 F1 dCA dT dTc T
F1

dt dqc
CA T Tc dqc dqc dqc
qc

15

The regions of existence of input multiplicity have been theoretically

identied for a non-isothermal CSTR with sulfuric acid catalyzed hydrolysis of acetic anhydride reaction system. Experimental investigations
were conducted in the identied regions and the existence of input multiplicity was conrmed for the above reaction system. Wherever input
multiplicity was observed for the system, it was found that the initial
reactor temperature did not affect the steady state temperature in the
non-isothermal CSTR. For a particular process variable combination

20.65
q= 0.088275e-6

20.6

q= 0.089167e-6

Temperature, T

20.55

q= 0.900583e-6

20.5
20.45
20.4
20.35
20.3
20.25

50

100

150

time, t
Fig. 7. Effect of ow rate of reaction mixture, q variation in the region of input multiplicity (CAf = 5000 mol/m3, Tf = 20.2 C, qc = 1.050e5 m3/s).

N.S. Jayakumar et al. / Chemometrics and Intelligent Laboratory Systems 135 (2014) 213222

221

20.65
qc=1.0395e-5

20.6

qc=1.0500e-5
qc=1.6050e-5

Temperature, T

20.55
20.5
20.45
20.4
20.35
20.3
20.25
0

50

100

150

time, t
Fig. 8. Effect of cooling water ow rate, qc, variation in the region of input multiplicity (CAf = 5000 mol/m3, Tf = 20.2 C, q = 0.089167e6 m3/s).

where input multiplicity was observed, the time taken for reaching
the steady state temperature was much higher for the lower ow rate
in comparison to the higher ow rate. The simulation study on the
variation of parameters in the region of input multiplicity has shown
that the parameters such as feed ow rate of reaction mixture, cooling
water ow rate and initial temperature has no signicant effect affecting input multiplicity. The variation in reactor feed temperature, Tf, in
the range of 2% about operating feed temperature equal to 20.2 C has
shown to affect both t the steady state and transient temperature of
the reactor.

Nomenclature
a
area of heat exchange, m2
CP
specic heat capacity of the reaction mixture, J/(kg C)
E
activation energy, J/mol
feed concentration of acetic anhydride, mol/m3
CAf

CS
CA
(H)
k
k0
qA
qB
q
qC
R
rA
T
Tf
Ti
Tc
U
V

concentration of sulfuric acid, mol/m3

concentration of acetic anhydride in the reactor, mol/m3
heat of reaction, J/mol
rate constant of reaction, s1
frequency factor, s1
feed ow rate of acetic anhydride, m3/s
feed ow rate of acetic acidwater mixture, m3/s
feed ow rate (qA + qB) in m3/s
coolant water ow rate, m3/s
universal gas constant
rate of reaction, mol/(s-m3)
temperature of reactor, C
Feed Temperature, C
initial reactor temperature, C
Temperature of coolant, C
overall heat transfer coefcient, W/(m2 C)
volume of the reactor, m3

20.9

Ti=20.394

20.8

Ti=20.600
Ti=20.806

Temperature, T

20.7

20.6

20.5

20.4

20.3

50

100

150

time, t
Fig. 9. Effect of initial reactor temperature, Ti, variation in the region of input multiplicity (CAf = 5000 mol/m3, Tf = 20.2 C, q = 0.089167e6 m3/s, qc = 1.050e5 m3/s).

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N.S. Jayakumar et al. / Chemometrics and Intelligent Laboratory Systems 135 (2014) 213222

20.65
Ti=19.998
Ti=20.200
Ti=20.402

20.6

Temperature, T

20.55
20.5
20.45
20.4
20.35
20.3
20.25

50

100

150

time, t
Fig. 10. Effect of feed temperature, Tf, variation in the region of input multiplicity (CAf = 5000 mol/m3, Ti = 20.6 C, q = 0.089167e6 m3/s, qc = 1.050e5 m3/s).

Greek notations
CAf

dimensionless exothermicity parameter, H

C T f
p

dimensionless heat transfer coefcient, C

dimensionless activation energy, RTE f

p Vk0

Ua
expE=RT f

f
dimensionless temperature, TT
Tf

dimensionless temperature based reference coolant temperaf

ture, TcTT
f
dimensionless ow rate, Vk0 expqE=RT
f
density, gm/ml

Conict of interest
We don't have conict of interest.
Acknowledgment
This work was supported by the University of Malaya for fully
funding under HIR-MOHE (UM/MOHE HIR, Grant No. D000020-16001).
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