Abstract
Principles of mathematical modeling of multicomponent reaction systems were considered with diesel fuel hydrotreating as example. The feed containing a large amount of organic sulfur components can be characterized by the following parameters from the viewpoint of improving the model adequacy and the calculation accuracy: (a) total sulfur concentration, (b) total sulfur content in pseudo-components in the feed or its narrow fractions, and (c) concentration of individual organic sulfur compounds. In cases (а) and (b), the notion of the reaction rate constant as a constant characterizing a physicochemical process degenerates, and this quantity should be considered in calculations as a kinetic characteristic taking into account the process nonuniformity in time. Examples of calculations of the hydrotreating kinetic characteristics are given for several kinds of model and real feed, and variation of the kinetic characteristic with time is analyzed.
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Translated from Neftekhimiya, 2021, Vol. 61, No. 5, pp. 667–680 https://doi.org/10.31857/S0028242121050105.
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Samoilov, N.A. Kinetic Characteristic of the Reaction Rate Constant in Multicomponent Reaction Systems. Pet. Chem. 61, 1040–1051 (2021). https://doi.org/10.1134/S0965544121090036
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DOI: https://doi.org/10.1134/S0965544121090036