UC engineering University of Carabobo farteaga20@gmail.

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2003 Aida Perez R. / Eliana T. Pea / Pascual Aljibes D. MODELING, SIMULATION AND CONTROL OF A REACTOR exothermic Batches using MATLAB-SIMULINK UC Engineering, August, yr / vol. 10, number 002 University of Carabobo Valencia, Venezuela pp. 7-17

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Modeling, simulation and control of a reactor exothermic batch using Matlab-Simulink Aida R. Perez, Eliana T. Pea, D. Pascual Aljibes Research Unit in Industrial Automation, School of Electrical Engineering, University of Carabobo, Venezuela, Email: aperezr@mipunto.com, pad@net_uno.net Department of Physics, Faculty of Engineering, University of Carabobo, E-mail: elianapenat@mipunto.com Summary

This paper aims to study a batch exothermic reactor from its mathematical model. It defines the equations describing the dynamic behavior of the reactor studied and selected parameter that represent it. Analyses are performed in open loop system modeling and design your control scheme, based on the traditional algorithm proportional - integral - derivative (PID).

Keywords: Chemical reactor, simulation model, phases of operation, PID algorithm.

in Matlab-Simulink, nonlinear

Modeling, simulation and control of a reactor exothermic batch using Matlab-Simulink

1. INTRODUCTION A chemical reactor can be defined as a equipment which is a substance or product from other call reactant through a series of chemical transformation Batch processing is a sector important chemical process industry. This type of process is used in the production of chemical use highly specialized monkeys, pharmaceuticals, polymers and other related field of biotechnology. Batch processes require a strategy different from control continuous processes as they do not operate at steady state. The objective control is to make the system output follows a desired trajectory. The batch reactor operation are intermittent rather complex since they require procedures such as filling, mixing, heating, control of the endpoint, adding power, cooling products, removal and emptying. If you also have an exothermic reaction, the it is often unstable steady state. Because of the importance of these units and often costly process that would involve the study from pilot plant at the undergraduate level his article focuses on the design of a control scheme for an exothermic batch reactor, with the mathematical modeland computer simulation as supports for the whole development of the design, and using the

Academic scientific software Matlab Simulink tool and programming elements. 2. DESCRIPTION OF THE PROCESS The batch reactor model studied is limited to the stages of heating, filling the cooling jacket, which occurs during exothermic reaction in the tank and the desired products is formed from a reactant, he reactant has been previously loaded and mixed in the reactor, so the same volume remains constant. To star the reaction mixture is injected into the steam jacket. This raises the temperature of the mixture to certain limit value. After reaching this value, the valve closes the steam injection. After the reaction, begin, it begins to release heat, which will be removed by opening the cold water valve, in order to maintain the reactor temperature within the operating range established by the process. The original control objective is to achieve a proper conversion of the product formed, minimizing the presence of the product. This is achieved by controlling the temperature inside the reactor, to be the variable that provides more information on the dynamics of the reaction. The manipulated variables are the steam and water flows entering the reactor, thus forming the heating-cooling system of the reactor. This system will operate with heat transfer coefficients up, in order to provide or remove (depending on the phase of operation of the model) as much heat as possible. The mechanism of movement isa single pass, ie, the flow of steam and water pass through the coat once. The disturbance applied to the process is the temperature of cold water for filling and cooling stages only. BATCH REACTOR MODELING The nonlinear dynamic model of the batch reactor was obtained from the differential equations describe its operation.

Please note that this is an intermittent and self-regulatory process. The following considerations were made: The reaction is exothermic, irreversible and first order, the type A => B => C, where A is the reactant, B and C the main product the product unwanted side. The downtime is not modeled Reactant, product and product are liquid phase The density and heat capacity of the mixture remain constant and other thermodynamic properties of reactant and product. Only the energetic effects are modeled to occur in the wall of the tank and are considered negligible effects on the walls of the jacket. The volume of the mixture is constant. The volume of the jacket is constant during the heating and cooling phases In the Figure 1 shows an illustrative drawing process, accompanied by the heating system cooling jacket type

Figure 1

Below are the equations describing the operation of the batch reactor under study: Component balance on the reactant:

Energy balance in the reactor:

Where: (T): final concentration of reactant lbmol/pie3 K (T): specific reaction rate of the reaction major, min. (depends on the temperature of the mixture). Balance on the product component

Where: : density of the reaction mixture, lbm/ft3. CP: average heat capacity of the mixture, Btu / lbm. F. V: volume of the reaction mixture, ft3. me: film coefficient of internal heat transfer, Btu / F.ft2.s. : internal area of heat transfer, ft2. TM (t): temperature of the walls of the tank, F. , : exothermic heat of the main reactions and secondary, respectively, Btu / lbmol. Energy balance in the tank walls Two coefficients are defined external heat transfer: one for the heating phase (vapor of water) and one for filling and cooling phases (cool water). Energy balance in the during the calentamient tank walls

Where: (t): the final product concentration lbmol/pie3 (T): specific reaction rate of the secondary reaction, min. Equations for reaction rates specific

Where: Where: , : pre-exponential factor or frequency Arrhenius for primary and secondary reactions, respectively, min. , activation energies of the respective primary and secondary reactions, Btu / lbmol. R: universal gas constant, Btu / lbmol. R. T (t): temperature inside the reactor, F. : density of the metal walls of the tank, lbm/pie3. : heat capacity of the tank walls, Btu/ lbm. F. : volume of the tank walls, ft3. MOS film transfer coefficient external heat of steam,Btu / F.ft2. : External area of heat transfer, ft2. (t): temperature inside the jacket, F.

Energy balance in the tank walls during filling and cooling stages:

Equation for calculating vapor density depending on pressure and temperature:

Where: Where: mow: film coefficient of heat transfer External cold water, Btu / F.pie2.s. Mass balance in the jacket to the heating step: M: Molecular weight of the vapor, M=18lbm/mol. Mass balance in the jacket to the stage of filling:

Where: Where: : Constant volume of the jacket, ft3. : vapor density inside and at the exit of the jacket, lbm/pie3. Fs (t): flow rate of water vapor, pie3/min. : density of vapor entering the jacket, lbm/pie3. WC (t): rate of condensation of vapor mass flow water, lbm / min. Equation of state of water vapor: : Constant volume of the jacket, ft3. =flow rato of water supply Cold Energy balance in the jacket to the stage filling:

Where: : Density of water coming out of the jacket, lbm/ .

Where: : enthalpy difference between inlet and vapor outlet enthalpy. Equation for vapor pressure:

: Heat capacity of water in the jacket, Btu/lbm. F. : Power flow temperature of the jacket. F.

Film coefficient of heat transfer external Btu/ F. .s.

: External area of heat transfer, .

Where: : Constant pressure of water vapor, R. : Constant pressure of water vapor, dimensionless.

Equation for the variation of transfer area in the external heat:

Expression for the calculation of the temperature in the jacket:

Energy balance in the jacket to the stage cooling:

Table 2. Constants Used. 4. CHARACTERISTICS PARAMETERS and Initial Conditions Operating Condition: =200F Table 3. Initial Conditions

5. DESCRIPTION OF THE SCHEME INSTRUMENTATION AND CONTROL The following are aspects with the instrumentation and control scheme for exothermic batch reactor under study. 5.1 Transmitter There is only one variable to be measured the temperature, the reactor. To measure a transmitter is used a standard output 4 to 20mA. The same range was selected according to the maximum values obtained by temperature-loop closed.

The equation to represent the transmitter is zero order, consist only of a gain for convert mA temperature and delay is considered negligible compared with the constant processing time. The equation of the output signal of the transmitter follows:

controller a pneumatic signal to the valve inlet a respective governing steam and water flows cold. The equation of the converter output signal is as follows:

Where: Y (t): Output signal of the converter, psig. Where: TT(t): Output signal of the transmitter mA. : Temperature transmitter. F. signal input to the TC (t): Output signal of the controller, mA. : Maximum output of the converter, 15 psig. : Minimum converter output signal, 3psig. The equation (18-A) represents a straight line, slope:

: Minimum value of the transmitter range, 50F. : Maximum output signal of the transmitter, 20 mA. : Minimum transmitter output. 4mA. The equation (17-A) indicates that the relationship between the input signal and the output of the transmitter is a straight line whose, slope a represents the gain of the transmitter:

5.4. Valves 5.4.1. Type of action The valve action is selected according the characteristics of the process for action of the fail safe: the steam valve is closed fault or air to open, as in case of supply failure air, it remains closed, preventing that the unregulated input of energy delivered by the steam. The cold water valve is open or air failure to close, to keep it open in case failure so we can remove the maximum amount of heat exothermic reaction possible and also ensure the system security. 5.4.2. Flow characteristics of valves Two were selected for linear valves manage the flow of steam and cold water respectively. For the steam valve, the mass flow that was enters in the jacket is:

5.2. Controller The output signals of the temperature controller go to two valves that will operate in range match, one of steam and other cold water. The input and electrical output of the controller are in the range standard 4 to 20 mA. The controller is of action inverse. This action is selected according to the position must have the valves to a fault safe. The strategy employed will be the basis of proportional, integral and derivative (PID). 5.3. I/P Converter They use two currents to pressure converter I/P to convert a electrical signal from the

Where: : Coefficient of valve sizing steam lbm/min. . : Opening the steam valve. : Feed pressure steam, psia. Vapor pressure inside the jacket, psia. For the cold water valve volumetric flow that going inside the jacket is:

Valve for cold water

Where: Y (t): output of the converter I/P, Psig. : Value of half the range of converter, 9 Psig. : Maximum output of the converter, 15 Psig. Minimum inverter output signal, 3 Psig.

Where: 5.4.4. Coefficient for Sizing : Coefficient lbm/min. of valve sizing water, Coefficient for valve sizing steam: : 112lbm/(min. .

: Fraction of valve opening of cold water. : Head cold water pressure, psig. This flow characteristic chosen for valves not take into account aspects installation of the pipes themselves, because the study is limited to the simulation of the process through of his mathematical equations, in isolation, without include the effect of other processes which would interacting with a reactor in a real operation. 5.4.3 Operating Range Equations The valves must be adjusted so that the steam valve is fully open when the controller output signals is at maximum value (20mA), and is closed when its output is in half the total range (12mA). The cold water valve is closed when the controller output is 12mA and completely open for a driver output signal of 4mA (minimum range). The action of the valves can be represented as follows: Steam valve

Coefficient for valve sizing cold water: : 100gpm/( .

The justification for the selection of these values is detailed in this article, but appears in the work of Perez and Pea. 5.5 Control Scheme 5.5.1. Open-Loop Tests The reactor modeling can not operate in open loop by requiring a system to regulate the amount of heat added initially and then remove that occurs as a result of the chemical reaction. To demonstrate the accuracy of the above statement, simulations were performed in open loop leaving the reactor, keeping fixed the valve openings respective governing steam and water flows cold. The simulations were performed on the model built in Matlab-Simulink. Some of the results obtained are presented in figures 2 and 3 where shows the temperature response of the reactor and concentration of

the product when leaving the steam valve fully open and close the cold water valve. Figure 2 shows how the temperature rises without any restriction, reaching a peak value becomes more than double its set point which should be avoided with the control scheme.
Temperature inside of reactor

5.5.2 Criteria for appropriate control

selection

as

most

To control the batch reactor were performed several simulations with different modes or actions. That allowed the end to reach an adequate response within the constraints of the type of controller and selected (traditional), taking into account several aspects. Produce a proper conversion of reactant to product, about 50%. Reduce the overshoot in temperature. Achieve a good rejection to small perturbations of the 10% and 20% in the temperature cold water inlet. Avoid continuous saturation and oscillation controller and valves within the limitations imposed by the dynamics of the process.

Time in seconds Figure 2. Simulation with the steam valve open. Concentration of Products

5.5.3. Control Act. We used a classical control law by feedback, using a control scheme based on a PID. The simplest formula for the controller PID is written as follows:

Where: : Controller gain. Full time.

Time in seconds

Figure 3. Simulation with open steam valve 100% and the water valve completely closed. Concentration of the product. Both temperature and concentration have an inverse response due to the same increase disproportionate temperature, which favors secondary reaction and wastes part of the conversion initially achieved.

: Derivate time. : Manual reset The equation (23) corresponds to a PID controller Parallel or ideal, for the three moods are in parallel. When using all three modes, usually an approximation using a progress-delayed is resulting in the following function of transfer.

*The proportional action alone leaves a state error considerable stationary. * For the proportional case, there is much oscillation in the steam valve after their operation stage. In a real plant would involve a continuous transition between injection of steam and water. *The derivate term is implemented ideal, either on the controlled variable or on the error, the simulator program causes problems in the calculation of derivatives by advance feature or Prediction of behavior of the controlled variable, in addition to saturate the controller and thus the final control elements. *The integral action causes a large overshoot in the heating phase of the reactor, but is required for the cooling phase. 5.5.5 Simulation results with improved control schemes To improve the schemes, the parameters were adjusted above and applied the following changes: Use a proportional control during phases warming and filling, and change to a proportional plus integral scheme at this stage of cooling Introduction of a unit in advance delay in order to improve the implementation of derivative action in the simulator program Use of a proportional plus derivative control for the phases of warming and filling, and a scheme for proportional plus integral final stage of operation.

The typical values are from 0.05 to 0.1, a on the selected, it is varied and not on the signal error.

5.5.4 Simulation results with control parameters calculated from the method of continuous variations. Parameters were calculated controller according to the formulas for optimal settings according to the method of continuous oscillations of Ziegler and Nichols for closed chain. We applied the pure proportional mode, proportional most derivatives with the controlled variable derivative, proportional plus integral and proportional plus more integral derivative in order to observe the results provided with the control parameters given in the table 4.

The parallel simulation with PID scheme parameter in table 4, could not be completed as which caused difficulties in the calculation of the derivative, is therefore obviate the results of the experiment. The analysis of the simulations (not shown in this study) shows the following:

Some results are illustrated in figures 4 and 5. They show that the integral action decreases in each case the phase error cooling. The PID control unit lead-lag shown in figure 4 achieves a short response to temperature oscillations around the point of operation. The control PD-PI (Figure 5) is not as ideal as above but also produces a trajectory acceptable temperature, with variations bellows.

Temperature inside of the reactor

Temperature inside of the reactor

Time (Seconds)

4-a Reactor Temperature Flow

Figure 5. Simulation with a PD-PI controller

:2.

: 16.7

:58.3

Temperature inside of the reactor

Flow

Tiempo (s)

Figure 6, PID controller response unit leadlag in temperature shocks cold water inlet. 4-b Opening Of The Valves Figure 4. Simulation with PID controller and development unit-in the controlled variable delay. : 2,3 . : 4.2 :33.3 5.5.6. Behavior disturbances Figure 6, shows the mode behavior PID with lead-lag unit shocks +20% and -20% in the inlet temperature cold water flowing through the jacket, the value of operation is 80F. The advance unit-delayed rejection improves controller to disturbances which reflected in the overshoot, whose increase (for disturbances positive) is much less than the schemes without derivative action, as is the case of P-PI control. The latter requires more time to recover from shocks applied. 6. Conclusions The use of simulink as a tool sub-block programming was used to construct the nonlinear model and batch reactor divided

The variation of and made in others simulations, it appeared that it did not produce much effect on product conversion achieved, but affected the temperature overshoot and oscillations steam valve.

according operation:

to

their

distinct

phases

of

Warming, filling and cooling. The programming Matlab was used to coordinate the simulation of these stages. Achieved a conversion of reactant to product about 50% thus minimizing the presence of product through temperature control. The application of different combinations of the algorithm PID allowed observing the effect of each of these variations on the dynamic of a single reactor chemical study by its level of a single chemical study by its level of control complete. The selection of the controller gain and coefficient of the valve sizing cold water ( ) implies a compromise between parameter, since a higher gain ( ) and a coefficients less than the design produce an overshoot higher initial temperature, while oscillations of the valve is reduced when decrementing , . 7. References Smith, J.M. (1997). Kinetic Engineering Chemistry, editorial CECSA, Mexico. Shinskey, F.G.(1988).Process Control Systems (Application, Design and Tuning).Mc Graw Hill, Third Edition U.S.A. Luyben, William (1990). Process Modeling, Simulation and Control for Chemical Engineers. Mc Graw Hill. Second Edition. U.S.A.