Chemical reactions, controlling batch reactors

In the earlier chapter, we have discussed the emergence of time-order in chemical reactions in continuously stirred tank reactor (CSTR) and have discussed the concept of negative and positive feedback for occurrence of oscillatory reactions. In this respect, experimental studies of oscillatory reactions in batch reactors have been investigated in great depth which has provided convincing evidence for the important role of auto-catalytic and inhibitory reactions in oscillatory reactions. Rate of internal production is controlled by the influx of reactants from external source. 

Adequate heat removal facilities are generally important when controlling the progress of exothermic chemical reactions. Common causes of thermal runaway in reactors or storage tanks are shown in Figure 7.4. A runaway reaction is most likely to occur if all the reactants are initially mixed together with any catalyst in a batch reactor where heat is supplied to start the reaction. 

Chemical Kinetics, Tank and Tubular Reactor Fundamentals, Residence Time Distributions, Multiphase Reaction Systems, Basic Reactor Types, Batch Reactor Dynamics, Semi-batch Reactors, Control and Stability of Nonisotheimal Reactors. Complex Reactions with Feeding Strategies, Liquid Phase Tubular Reactors, Gas Phase Tubular Reactors, Axial Dispersion, Unsteady State Tubular Reactor Models... 

Although the bulk of chemical manufacture is done on a continuous basis, there are sectors of the industry in which batch reactors are essential, notably for fermentations and polymerizations. Such plants may employ as many as 100 batch reactors. The basic processing steps include the charging of several streams, bringing up to reaction temperature, the reaction proper, maintenance of reaction temperature, discharge of the product, and preparation for the next batch. Moreover, the quality of the product depends on the accuracy of the timing and the closeness of the control. 

These two factors mean the semi-batch reactor is a commonly-used reactor type in the fine chemicals and pharmaceutical industries. It retains the advantages of flexibility and versatility of the batch reactor and compensates its weaknesses in the reaction course control by the addition of, at least, one of the reactants. 

This is the most common mode of addition. For safety or selectivity critical reactions, it is important to guarantee the feed rate by a control system. Here instruments such as orifice, volumetric pumps, control valves, and more sophisticated systems based on weight (of the reactor and/or of the feed tank) are commonly used. The feed rate is an essential parameter in the design of a semi-batch reactor. It may affect the chemical selectivity, and certainly affects the temperature control, the safety, and of course the economy of the process. The effect of feed rate on heat release rate and accumulation is shown in the example of an irreversible second-order reaction in Figure 7.8. The measurements made in a reaction calorimeter show the effect of three different feed rates on the heat release rate and on the accumulation of non-converted reactant computed on the basis of the thermal conversion. For such a case, the feed rate may be adapted to both safety constraints the maximum heat release rate must be lower than the cooling capacity of the industrial reactor and the maximum accumulation should remain below the maximum allowed accumulation with respect to MTSR. Thus, reaction calorimetry is a powerful tool for optimizing the feed rate for scale-up purposes [3, 11]. 

Of the two mechanisms discussed above, thermal runaway is by far the most common cause of safety problems in chemical batch reactors, given the ability of the system to largely exceed the desired reactor temperature and, hence, the normal operative pressure with high risk of explosion. It has been estimated that an important fraction of the chemical reactions executed daily in the chemical industry has heat effects large enough to eventually cause reactor thermal runaway [16] and that ineffective temperature control has been the cause of many incidents involving batch reactors [4, 6],... 

Because of the aforementioned circumstances, the loss of control of the phenol-formaldehyde reaction has been the cause of a number of severe incidents in chemical batch reactors during the last decades [12], These incidents have caused many injuries and, in the worst case, even fatalities among the plant operators. Other severe consequences have been the evacuation of residents in the surrounding area due to chemical contamination and a protracted stop in the plant production. 

For a safe operation, the runaway boundaries of the phenol-formaldehyde reaction must be determined. This is done here with reference to an isoperibolic batch reactor (while the temperature-controlled case is addressed in Sect. 5.8). As shown in Sect. 2.4, the complex kinetics of this system is described by 89 reactions involving 13 different chemical species. The model of the system consists of the already introduced mass (2.27) and energy (2.30) balances in the reactor. Given the system complexity, dimensionless variables are not introduced. 

Hydrogenation reactions are frequently run in fed-batch reactors. The chemical component to be hydrogenated is charged to the reactor vessel. The hydrogen is then fed into the vessel on pressure control. The temperature of the reactor is controlled by manipulating the flowrate of coolant to the jacket, coil, or external heat exchanger. Thus this system has two manipulated variables (the flowrate of hydrogen and the flowrate of coolant) and two controlled variables (pressure and temperature). 

---