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Modeling, Simulation and Control of Chemical Industrial Reactor
Modeling, Simulation and Control of Chemical Industrial Reactor
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Radek Silhavy
Tomas Bata University in Zlín
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Abstract – The presented paper is focused on analysis, Design of controllers by algebraic approach became
mathematical modeling, simulation and control of reactor which is a useful and popular discipline in control theory during the
used in the chemical and tanning technology. The contribution last decade. On the beginning the ring of polynomials was
brings complex analysis of continuous-flow circulation reactor for used for control design. All controllers are obtained via linear
the cyclohexane production. A mathematical dynamic model was
Diophantine equations in an appropriate ring. The necessity
derived and the optimal parameters were computed. Then a
comparison of several different methods of controller design was of robust control was naturally developed by the situation
performed. One type of controller was obtained by classical method when the nominal plant (used in control design) differs from
the second one by algebraic approach via solutions of Diophantine the real (perturbed) one. A suitable tool for parameter
equations in the ring of polynomials. The third type was obtained uncertainty is the infinity norm H. Hence, a polynomial
via solutions of Diophantine equations in the ring of stable and description of transfer functions had to be replaced by another
proper rational functions - robust controllers. All simulations were one. A convenient description adopted from [7], [8], [9] is
performed in the standard Matlab-Simulink environment. a factorization approach where transfer functions are
expressed as a ratio of two Hurwitz stable and proper rational
I. INTRODUCTION
functions (Rs). Then conditions of robust stability can be
Material and energy balances are the key issues of easily formulated in algebraic parlance.
mathematical models of chemical reactors and processes. The
II. ANALYSIS AND MATHEMATICAL MODEL
combination with chemical kinetics and transport effects an
intellectual basis for chemical reactor design can be obtained. Presented reactor is a continuous-flow circulation reactor
The behavior of real chemical process is obviously too for the cyclohexane production. Cyclohexane, as an important
complex for a perfect, complete and whole mathematical base material for polyamide manufacturing, makes by
analysis. Various kinds of approximations and simplifications catalytic hydrogenation of benzene. A large number of
are commonly used to obtain results reasonably simple but reaction heat transfers during hydrogenation process.
sufficiently accurate. Cardinal simplifications of the Therefore, benzene and cyclohexane mixture hydrogenation
mathematical description can be utilized by the following proceed in continuous time circulating reactor under
presumptions: hydrogen excess. The presented mathematical model should
- Process does not change its properties during the respect the following conditions:
observation period, - Reaction mixture is perfectly mixed by circulation.
- Relation between input and output variables of the - The volume of reaction mixture is constant.
process is linear, - All technological parameters in reactor are constant.
- Process variables can be measured continuously and - Heat transfer on the both sides of wall is ideal.
have a continuous-time trend. The hydrogenation mechanism of benzene is supposed to
A useful and interesting application of reactor design for be a first-order reaction:
chemical engineers can be seen in [1], [2]. There are
emphases on numerical solutions which are needed for most
practical problems in chemical reactor design. Sophisticated k
numerical techniques and methods are rarely necessary. 3H 2 (1)
The aim of the presented approach is to make the Benzene Cyclohexane
rB k cB
techniques understandable and easily accessible to design
engineers and the methodology enables the deeper and
comprehensive focus on the chemistry and physics of the where k is a constant of proportionality known as the rate
process. constant and rB is the rate of the reaction. There is not the
There are many reputable authors and superior texts on rate at which a particular component reacts. Components
chemical reactions and theirs kinetics, engineering and reactor benzene and hydrogen are consumed by the reaction and thus
analysis and design, e.g. [3], [4], [5], [6]. are "formed" at a negative rate. The material balance for the
component benzene satisfies the following differential III. CONTROL DESIGN
equation (for constant volume V of reactor):
Control systems depicted in Fig. 1. and Fig. 2. are
dc considered for design of one degree of freedom – feedback
qv .cBv q.cB V .k .cB V B (2) (FB) and two degrees of freedom – feedback feed-forward
dt
(FBFW) controllers.
v
where qv and q are input and output flow and cBv and cB are
y
input and output concentration of component benzene. w u
The temperature balance in the reactor satisfies the Q B
differential equation: P A
n
qv . v .c pv .Tv ( H R )V .k .c B
dT (3)
q. .c p .T F . (T Tx ) V . .c p
dt
Fig. 1. Feedback control system
where the relation (H R )V .k.cB is the heat generated by
w
the reaction and F. (T Tx ) represents the heat transfer into R
surroundings. P v
The rate constant k for elementary reactions is expressed
by Arrhenius equation: Q u B y
P A
E
k k0T n exp (4) n
RT
E A. Classical approaches
dcB qv q
c Bv c B k0e RT c B (5)
dt V V
1) Naslin method
The method is determined for the low degrees transfer
Similarly, variation of the reaction mixture temperature in
B
the reactor is: functions in the form . The controller has defined structure
A
dT qv k .c q in advance. We choose the controller handling that maximal
T ( H R ). B T overshooting not exceed limitations. Procedure can be
dt V v .c p V
(6) described in the next steps:
F .
(T Tx ) -We have the transfer function
V . .c p
Bs
G s
K
a n s ...a1 s 1 As
(7)
The time response of the reaction mixture concentration n
depends on the input flow of the benzene, the concentration
of input stream cBv , the volume of reactor filling, the specific
- The controller has defined structure
heat capacity of reaction mixture cp and the rate constant k.
The solution of ordinary differential equation (5) requires Q s
C s
P s
an initial condition: cBv = c B0 at t=0. (8)
From all mentioned parameters the input flow stream into
the reactor qv and its initial concentration cBv can be - We have to calculate the characteristic polynomial
changed.
AP + BQ = c0+c1s+ ...+cmsm (9)
- For: ci2 α ci-1 . ci+1, where the relation between α and 2) Robust control
overshooting is defined by table. For maximal In this case linear transfer functions are no more
overshooting y 5% is α = 2.0. represented as a ratio of two polynomial but two elements of
an another ring. For the purposes of robust control in the
The method provide only parameters borders but their
sense of this contribution any transfer function G(s) of a
availability is necessary to test by simulation.
linear system can be expressed as a ratio of two elements:
1 (14)
G1 G 2 1 sup G1 s G 2 s
G 2 2 2
1) Pole-placement control G 2 Re s 0
Basic signification in the theory of linear control has the
characteristic equation of closed control loop. There are
This norm is the radius of the smallest circle containing
known polynomials of numerator and denominator of
the Nyquist plot of the transfer function. Almost all
controlled system in the characteristic equation but doesn’t
mathematical models differ from physical systems.
known polynomials of controller transfer function. The design
B s
of controller was reduced for solving Diophantine equations Let G s
As
be a nominal plant and consider a family
in the modern interpretation, where:
B s
of perturbed systems G s
- a(s) p(s) + b(s) q(s) = c(s) has solution
As
where
Highest common divisor HCD (a,b) divide c
- If exists pp(s), qp(s) equation a(s) p(s) + b(s) q(s) = c(s)
A A 1 B B 2
p s p p ( s )bs t s or A A B B
(15)
q s q p ( s )a s t s
(11)
y(t) [kmol/m3]
2
0.6
1 P0 BT 2 Q0 AT 1
P0 BT (20) 0.4
or 1
Q0 AT 3
0.2
4
Steps 1 - 3 represent the first and simplest case of robust 0
5
design. All solutions of Diophantine equations in Rm(s) are
expressed as functions of the parameter m> 0. The va1ue of -0.2
0 5 10 15 20
this parameter strongly influences dynamics as well as t [min]
robustness of the proposed control system. Fig. 3. The output y time responses to input u step changes,
u=-0.08(1), -0.07(2), -0.05(3), 0.05(4), 0.08(5)
IV. SIMULATION OF MATHEMATICAL MODEL
The continuous-flow circulation reactor for catalytic V. RESULTS OF CONTROLLED SYSTEMS SIMULATION
hydrogenation of benzene with V=0,5 m3 volume was used
for the simulation of the concentration and temperature One of the main problems of the catalytic hydrogenation
characteristics. Initial input flow into the reactor was of benzene in continuous-flow circulation reactor is
qv=0.0067 m3s-1 with the initial concentration of benzene progressive degeneration of reaction surfactant. This is cause
that the reaction is slowing down, the rate constant k is
cBv =1.9 kg/m3. Initial rate constant was considered k=
decreasing and the concentration of benzene in output mixture
1.616.e14 s-1, density of mass =985 kg m-3, specific heat is increasing. The aim is to keep the concentration of benzene
capacity cp = 4.050 J/kg.K, transfer heat coefficient E= under the critical value. One of the possibilities how to solve
435.00 W/m2.K, surface F=5.5 m2, activation energy E=4.8e4 the problem is reduction of input flow q of the benzene and
J mol-1, initial mass temperature Tv=320 K and temperature of cyclohexane mixture into the reactor.
surrounding Tx=290 K.
A. Classical control algorithms
Steady-State Analysis Results
The reactor steady-state characteristics were obtained by Simulation 1: Naslin method, maximal overshooting 5% (α =
solution of equations (4)-(6). The initial conditions were 2.0), set point w=0.002.
computed by a standard optimization method - iterative Naslin method
procedure. 0.05
0.045
Dynamic Analysis Results
0.04
For dynamic analysis purposes one input and one output
choices were considered. Then were defined input u and 0.035
0.03
q(t) – qs(t) and y(t) = cB(t) – cBs(t). 0.025
Graphical interpretation of simulation experiments – the
output y time responses to input u step changes are depicted 0.02
on Fig. 3. 0.015
0.01
Model approximation
For control requirement, described continuous time 0.005
3.5
0.5
3
0.4
2.5
output
0.3
output
0.2
1.5
0.1 1
0 0.5
0
-0.1 0 5 10 15 20 25 30 35 40
0 5 10 15 20 25 30 35 40 time
time
Fig. 8. Results of robust approach – FB, m=10
Fig. 5. Results of Method of optimal module
B. Modern control algorithms Simulation 6: Robust approach, FBFW, m=2, set point
w=0.002.
Simulation 3: Polynomial approach, set point w=0.002. x 10
-3 Robust approach - FBFW m=2
4
x 10
-3 Polynomial approach
7
3.5
6
3
5
2.5
output
4 2
output
3 1.5
1
2
0.5
1
0
0 5 10 15 20 25 30 35 40
0 time
0 5 10 15 20 25 30 35 40
time
Fig. 9. Results of robust approach – FBFW, m=2
Fig. 6. Results of polynomial approach
Simulation 7: Robust approach, FBFW, m=10, set point
Simulation 4: Robust approach, FB, m=2, set point w=0.002. w=0.002.
-3 Robust approach - FBFW m=10
x 10
-3 Robust approach - FB m=2 x 10
4
4
3.5
3.5
3 3
2.5
output
2.5
output
2 2
1.5 1.5
1 1
0.5 0.5
0 0
0 5 10 15 20 25 30 35 40 0 5 10 15 20 25 30 35 40
time time
Fig. 7. Results of robust approach – FB, m=2 Fig. 10. Results of robust approach – FBFW, m=10
CONCLUSION
ACKNOWLEDGMENT
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