Abstract
This chapter presents the simulation of reaction-kinetic systems using examples that illustrate the modeling of various reaction systems— chlorination of benzene, autocatalytic reactions, and temperature effects in stirred tank reactors. The chlorination of benzene produces monochlorobenzene, dichlorobenzene, and trichlorobenzene through the successive reaction. Some assumptions can be made about the reaction: there are no dynamics are involved and the system operates under isothermal and isobaric. Autocatalysis describe the experimentally observable phenomenon of a homogeneous chemical reaction which shows a marked increase in rate with time, reaches its peak at about 50 percent conversion, and then drops off. The temperature has to remain constant and all ingredients must be mixed at the start for proper observation. a continuous stirred tank reactor (CSTR) is used for the decomposition of hydrogen peroxide. The reaction is first-order and homogeneously catalyzed. The exothermic heat of reaction is continuously removed through a cooling water jacket which surrounds the reactor.
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