Development of a Method for Modeling the Composition of Raw Materials and Kinetics of Chemistry of Polycomponent Systems

The problems of mathematical modeling of chemical processes in multicomponent systems related to the shortcomings of an adequate representation of the composition of the raw materials of the process and the displaying of the rates of multiple simultaneous reactions are considered. The main models of the composition of polycomponent raw materials are analyzed. A model of the composition of diesel fuel hydrotreating raw materials based on pseudo-components characterizing the properties of narrow fractions of raw materials is proposed. That model allows mathematical modeling to evaluate the kinetics of hydrodesulfurization and form new promising schemes for reactor units of hydro-treating plants. The rationale for differential hydrotreatment with separate hydrogenation of wide fractions of feedstock, which reduces the amount of necessary catalyst, and a comparative analysis of the efficiency of reactor units were presenting.