Abstract
The majority of manuscripts dealing with the subject of chemical reactions, detailed chemical reaction models, and chemical kinetics present the material with strong mathematical foundations and emphasis. This is the reason for the conceptual approach taken in this manuscript where the result of the application of theory in the form of mathematical models is not the major consideration but the understanding of the fundamental concepts behind the complex mathematical theories.
Highlights
The majority of manuscripts dealing with the subject of chemical reactions, detailed chemical reaction models, and chemical kinetics present the material with strong mathematical foundations and emphasis
The industrial professional performing the design of a chemical reactor may not have the practical experience in Mathematics as well as Quantum Mechanics or Physical Chemistry to fully understand the implications of the mathematical formulism
This is especially true of the mathematical methods used in Quantum Chemistry as well as quantum mechanics applications to the estimate of rates of chemical reactions
Summary
This author is aware of only two manuscripts dealing with the subject of DCKM. Both are limited in content as well as lacking a comprehensive and conceptual description of the issues and concepts. The predictions of any reactor model are only as good as the chemistry that is assembled to explain the formation of products and important byproducts. The design depending on reactor configuration and thermodynamic conditions may involve solving mass, heat, and momentum transport equations This requires mathematical tools to solve stiff differential equations involving the chemical reaction rates. Trace components are considered an environmental hazard or pollutant It will be necessary (for Heat and Mass balance purposes during the chemical reactor design) to gather the thermo-chemical data for the reactions such as Heats of Formation. It is necessary to introduce reactor scale-up in a manuscript dealing with detailed chemical kinetic models because it impacts the development of the model as depicted in Figure 2 during (a) selection of experimental apparatus and (b) model validation. Where the differential equations of the system are known but cannot be integrated, the similarity criteria can be derived from the Detailed Chemical Kinetic Modeling
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