Foundations of Chemical Kinetic Modeling, Reaction Models and Reactor Scale-Up

Even today, unfortunately, 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.

Another important consideration that may be difficult during the composition of reaction models is the generation of elementary chemical reactions to explain the formation of products and most important trace components some of which may be of concern due to pollution of the environment.

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Foundations of Chemical Kinetic Modeling, Reaction Models and Reactor Scale-Up

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.

Even today, unfortunately, 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.

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Foundations of Chemical Kinetic Modeling, Reaction Models and Reactor Scale-Up

Even today, unfortunately, 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.

Another important consideration that may be difficult during the composition of reaction models is the generation of elementary chemical reactions to explain the formation of products and most important trace components some of which may be of concern due to pollution of the environment.

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Thermodynamic Calculation of a Heat of First-Order Phase Transitions

A transition heat is the most important characteristics of first-order phase transitions. Black was first who discovered in 1762 that in the transfer of water to vapor, some quantity of heat is absorbed, which he termed the latent evaporation heat.

In spite of more than the two-hundred-year period of the heat transfer concept existence there are no analytical expressions relating the transition heat with other parameters of phase transitions.

For example, the fundamental "Physics Encyclopedia", articles devoted to the transition heat, evaporation heat, and so on, comprises no formulae but only tables of experimental data. One can also mention monographs which have no relationships except for the conventional definition of the transition heat λ=TΔS.

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Thermodynamic Calculation of a Heat of First-Order Phase Transitions

A transition heat is the most important characteristics of first-order phase transitions. Black was first who discovered in 1762 that in the transfer of water to vapor, some quantity of heat is absorbed, which he termed the latent evaporation heat. In spite of more than the two-hundred-year period of the heat transfer concept existence there are no analytical expressions relating the transition heat with other parameters of phase transitions.

For example, the fundamental "Physics Encyclopedia", articles devoted to the transition heat, evaporation heat, and so on, comprises no formulae but only tables of experimental data. One can also mention monographs which have no relationships except for the conventional definition of the transition heat λ=TΔS.

Hence, obtaining the relationships between the transition heat and other parameters of first-order phase transitions will be a substantial contribution into the theory of first-order phase transitions.  The conventional expression for a transition heat λ=TΔS has two substantial drawbacks. First, in some phase transitions, for example, in evaporation, not only entropy changes but a system does the work, which can only be supplied by an external source of heat.

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