Energy balances batch reactors

Energy balance— batch reactor— multiple reactions... 

Energy balance— batch reactor— single reaction... 

Unsteady material and energy balances are formulated with the conservation law, Eq. (7-68). The sink term of a material balance is and the accumulation term is the time derivative of the content of reactant in the vessel, or 3(V C )/3t, where both and depend on the time. An unsteady condition in the sense used in this section always has an accumulation term. This sense of unsteadiness excludes the batch reactor where conditions do change with time but are taken account of in the sink term. Startup and shutdown periods of batch reactors, however, are classified as unsteady their equations are developed in the Batch Reactors subsection. For a semibatch operation in which some of the reactants are preloaded and the others are fed in gradually, equations are developed in Example 11, following. 

For a perfectly mixed batch reactor, the energy balance is... 

This paper presents the physical mechanism and the structure of a comprehensive dynamic Emulsion Polymerization Model (EPM). EPM combines the theory of coagulative nucleation of homogeneously nucleated precursors with detailed species material and energy balances to calculate the time evolution of the concentration, size, and colloidal characteristics of latex particles, the monomer conversions, the copolymer composition, and molecular weight in an emulsion system. The capabilities of EPM are demonstrated by comparisons of its predictions with experimental data from the literature covering styrene and styrene/methyl methacrylate polymerizations. EPM can successfully simulate continuous and batch reactors over a wide range of initiator and added surfactant concentrations. 

The experimental method used for this kinetie study is reaetion ealorimetry. In the ealorimeter, the energy enthalpy balance is continuously monitored the heat signal can then be easily converted in the reaction rate (in the case of an isothermal batch reactor, the rate is proportional to the heat generated or consnmed by the reaction). The reaction orders and catalyst stabihty were determined with the methodology of reaction progress kinetic analysis (see refs. (8,9) for reviews). 

There are a variety of limiting forms of equation 8.0.3 that are appropriate for use with different types of reactors and different modes of operation. For stirred tanks the reactor contents are uniform in temperature and composition throughout, and it is possible to write the energy balance over the entire reactor. In the case of a batch reactor, only the first two terms need be retained. For continuous flow systems operating at steady state, the accumulation term disappears. For adiabatic operation in the absence of shaft work effects the energy transfer term is omitted. For the case of semibatch operation it may be necessary to retain all four terms. For tubular flow reactors neither the composition nor the temperature need be independent of position, and the energy balance must be written on a differential element of reactor volume. The resultant differential equation must then be solved in conjunction with the differential equation describing the material balance on the differential element. 

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. 

If the batch reactor operation is both nonadiabatic and nonisothermal, the complete energy balance of equation 12.3-16 must be used together with the iiaterial balance of equation 2.2-4. These constitute a set of two simultaneous, nonlincmr, first-flijer ordinary differential equations with T and fA as dependent variables and I as Iidependent variable. The two boundary conditions are T = T0 and fA = fAo (usually 0) at I = 0. These two equations usually must be solved by a numerical procedure. (See problem 12-9, which may be solved using the E-Z Solve software.)... 

These are the fundamental thermodynamic equations from which we can develop our energy balances in batch, stirred, and tubular reactors. 

For a single reaction in a nonisothermal batch reactor we can write the species and energy-balance equations... 

We can also obtain these expressions from the energy-balance equation for the steady-state PFTR by simply transforming dzju dt with A,/ V replacing Pw/At. The solutions of these equations for the batch reactor are mathematically identical to those in the PFTR, although the physical interpretations are quite different. 

Note also that these equations can be simplified to obtain the batch reactor mass- and energy-balance equations by setting Dj = 0 and w = 0 to give... 

The mathematical model of the batch reactor consists of the equations of conservation for mass and energy. An independent mass balance can be written for each chemical component of the reacting mixture, whereas, when the potential energy stored in chemical bonds is transformed into sensible heat, very large thermal effects may be produced. 

A more quantitative analysis of the batch reactor is obtained by means of mathematical modeling. The mathematical model of the ideal batch reactor consists of mass and energy balances, which provide a set of ordinary differential equations that, in most cases, have to be solved numerically. Analytical integration is, however, still possible in isothermal systems and with reference to simple reaction schemes and rate expressions, so that some general assessments of the reactor behavior can be formulated when basic kinetic schemes are considered. This is the case of the discussion in the coming Sect. 2.3.1, whereas nonisothermal operations and energy balances are addressed in Sect. 2.3.2. 

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. 

The nonlinear dynamic model of this fed-batch reactor consists of a total mass balance, component balances for three components, an energy balance for the liquid in the reactor, and an energy balance for the cooling water in the jacket ... 

In batch reactors, for thermally simple types of reactions, that is, ones that can be attributed to a single reaction step, generally applicable to the propagation step of polymerization reactions, we can write the following thermal energy balance (6)... 

There are five primary reactor designs based in theory batch, semibatch, continuous-stirred tank, plug flow, and fluidized bed. The operating expressions for these reactors are derived from material and energy balances, and each represents a specific mode of operation. Selected reactor configurations are presented in Fig. 1. 

The semibatch reactor is a cross between an ordinary batch reactor and a continuous-stirred tank reactor. The reactor has continuous input of reactant through the course of the batch run with no output stream. Another possibility for semibatch operation is continuous withdrawal of product with no addition of reactant. Due to the crossover between the other ideal reactor types, the semibatch uses all of the terms in the general energy and material balances. This results in more complex mathematical expressions. Since the single continuous stream may be either an input or an output, the form of the equations depends upon the particular mode of operation. 

Typically batch reactors may have complex kinetics, mixing, and heat-transfer issues. In such cases, detailed momentum, mass, and energy balance equations will be required. 

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