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- W657288 abstract "The chemical behavior of complex mixtures of hydrocarbons is difficult to model, partly because of the unavailability of data for the enormous number of reactions and compounds involved. We are developing a new approach for the computational analysis of Fluid Catalytic Cracking. The approach is based on utilizing the known general types of steps to generate systematically the particular individual mechanism-steps for any given feed. Arguments from thermodynamics can reduce the number of steps that are considered, by determining the dominant steps within each type of reaction. One can thus develop a kinetic model of a complex reaction system and study its dynamics and control. The necessary thermodynamic properties are estimated using a new technique which is based on the analysis of conjugate forms of compounds. For ionic intermediates, conjugation determines the extent of charge-dispersion which is directly related to the thermodynamic stability of the ion. Concepts useful in further lumping of chemical reaction models are also considered." @default.
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- W657288 date "1992-04-01" @default.
- W657288 modified "2023-09-27" @default.
- W657288 title "Computer-Aided Analysis of Ionic Reaction Systems" @default.
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- W657288 doi "https://doi.org/10.1016/s1474-6670(17)50969-6" @default.
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