The specifics of mathematical modeling complex multicomponent chemical processes

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Keywords

mathematical modeling
diesel fuel hydrotreatment
removal of sulfur-containing impurities
raw material composition by removed impurities
pseudocomponents
reaction rate constant
reaction kinetic characteristic

How to Cite

Samoilov, N. (2021). The specifics of mathematical modeling complex multicomponent chemical processes. Industrial Processes and Technologies, 1(1), 37–52. https://doi.org/10.37816/2713-0789-2021-1-1-37-52 (Original work published September 13, 2021)

Abstract

A critical analysis of the problem of identifying raw materials for hydrotreating diesel fuel by organosulphuric components and quantifying the value of the rate constant of the hydrodesulphurization reaction is presented. It is proposed to describe the raw material as a set of narrow fractions, in each of which the content of various organosulphuric components is considered as a single pseudo-component. The prospects of separate hydrotreatment of diesel fuel pre - fractionated into wide easily and hardly hydrogenated fractions are confirmed, which allows reducing the loading of the catalyst into the reaction unit of the plant by 1.4-1.7 times compared to the traditional process scheme. It is proposed to use the concept of kinetic coefficient for mathematical modeling of the hydrotreating process instead of the incorrect reaction rate constant in this case. The dependence of the gross conversion rate constant of the raw material on the time of fixing the depth of its hydrodesulfurization is proved by the example of modeling the hydrotreatment of diesel fuel for a number of raw material variants.

https://doi.org/10.37816/2713-0789-2021-1-1-37-52
pdf (Русский)