Procedures were formulated in Chapter 5 for treating complex reactions. We now turn to the design of reactors for such reactions. Continuing with the ethylation reaction, we consider the following reactor types for which design procedures were formulated earlier in Chapter 4 for simple reactions: batch reactors, continuous stirred reactors (or mixed-flow reactors), and plug-flow reactors. However, we use the following less formal nomenclature: A = aniline, B = ethanol, C = monoethyaniline, D = water, E = diethylaniline, F = diethyl ether, and G = ethylene. The four independent reactions then become Using this set of equations as the basis, we now formulate design equations for various reactor types. Detailed expositions of the theory are presented in a number of books, in particular Aris (1965, 1969) and Nauman (1987). Consider a reaction network consisting of N components and M reactions. A set of N ordinary differential equations, one for each component, would be necessary to mathematically describe this system. They may be concisely expressed in the form of Equation 5.5 (Chapter 5), or . . . d(cV)/dt = vrV (11.1) . . . The use of this equation in developing batch reactor equations for a typical complex reaction is illustrated in Example 11.1.
Uncertainty quantification for quantum chemical models of complex reaction networks
