Batch reactor nonisothermal design equations

Equations (3.71) and (3.82) are the basic design equations for the design of nonisothermal CSTR. For tubular and batch reactors, the same equations are slightly modified to put them in a suitable differential equation form. 

The design equations for a nonisothermal batch reactor include A-fl DDEs, one for each component and one for energy. These DDEs are coupled by the temperature and compositional dependence of 91/. They may also be weakly coupled through the temperature and compositional dependence of physical properties such as density and heat capacity, but the strong coupling is through the reaction rate. 

The design equations for a chemical reactor contain several parameters that are functions of temperature. Equation (7.17) applies to a nonisothermal batch reactor and is exemplary of the physical property variations that can be important even for ideal reactors. Note that the word ideal has three uses in this chapter. In connection with reactors, ideal refers to the quality of mixing in the vessel. Ideal batch reactors and CSTRs have perfect internal mixing. Ideal PFRs are perfectly mixed in the radial direction and have no mixing in the axial direction. These ideal reactors may be nonisothermal and may have physical properties that vary with temperature, pressure, and composition. 

In general, when designing a batch reactor, it will be necessary to solve simultaneously one form of the material balance equation and one form of the energy balance equation (equations 10.2.1 and 10.2.5 or equations derived therefrom). Since the reaction rate depends both on temperature and extent of reaction, closed form solutions can be obtained only when the system is isothermal. One must normally employ numerical methods of solution when dealing with nonisothermal systems. 

In this chapter, we first consider uses of batch reactors, and their advantages and disadvantages compared with continuous-flow reactors. After considering what the essential features of process design are, we then develop design or performance equations for both isothermal and nonisothermal operation. The latter requires the energy balance, in addition to the material balance. We continue with an example of optimal performance of a batch reactor, and conclude with a discussion of semibatch and semi-continuous operation. We restrict attention to simple systems, deferring treatment of complex systems to Chapter 18. 

We shall recapitulate the governing equations in the next section and discuss the economic operation in the one following. The results on optimal control are essentially a reinterpretation of the optimal design for the tubular reactor. We shall not attempt a full derivation but hope that the qualitative description will be sufficiently convincing. The isothermal operation of a batch reactor is completely covered by the discussion in Chap. 5 of the integration of the rate equations at constant temperature. The simplest form of nonisothermal operation occurs when the reactor is insulated and the reaction follows an adiabatic path the behavior of the reactor is then entirely similar to that discussed in Chap. 8. 

The design formulation of nonisothermal batch reactors consists of + 1 nonlinear first-order differential equations whose initial values are specified. The solutions of these equations provide Z s and 6 as functions of t. The examples below illustrate the design of nonisothermal ideal batch reactors. 

Derive the simplified design equations for the batch nonisothermal reactor. 

Nonuniform temperatures, or a temperature level different from that of the surroundings, are common in operating reactors. The temperature may be varied deliberately to achieve optimum rates of reaction, or high heats of reaction and limited heat-transfer rates may cause unintended nonisothermal conditions. Reactor design is usually sensitive to small temperature changes because of the exponential effect of temperature on the rate (the Arrhenius equation). The temperature profile, or history, in a reactor is established by an energy balance such as those presented in Chap. 3 for ideal batch and flow reactors. 

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