A. M. Vorob’ev, N. S. Belinskaya, D. A. Afanas’eva, S. B. Arkenova, T. A. Kaliyev, E. B. Krivtsov, E. N. Ivashkina, N. I. Krivtsova
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Mathematical Modeling of Vacuum Gasoil Hydrotreatment
Results from calculating the thermochemical properties of molecules and the thermodynamic characteristics of vacuum distillate hydrotreatment reactions by quantum-chemical methods are presented. A mathematical hydrotreatment model is developed on the basis of a formalized scheme of reactions for hydrocarbons. The developed kinetic model is used in numerical studies to estimate the effect of the feedstock composition on the residual content of heteroatomic compounds in the vacuum gasoil hydrotreatment product, the effect of the temperature on the content of aromatic hydrocarbons, nitrogen, and sulfur in the hydrotreatment product, and flow rate of the hydrogen-containing gas on the content of sulfur and hydrogen sulfide in hydrotreated vacuum gasoil.
期刊介绍：
The journal covers the following topical areas:
Analysis of specific industrial catalytic processes: Production and use of catalysts in branches of industry: chemical, petrochemical, oil-refining, pharmaceutical, organic synthesis, fuel-energetic industries, environment protection, biocatalysis; technology of industrial catalytic processes (generalization of practical experience, improvements, and modernization); technology of catalysts production, raw materials and equipment; control of catalysts quality; starting, reduction, passivation, discharge, storage of catalysts; catalytic reactors.Theoretical foundations of industrial catalysis and technologies: Research, studies, and concepts : search for and development of new catalysts and new types of supports, formation of active components, and mechanochemistry in catalysis; comprehensive studies of work-out catalysts and analysis of deactivation mechanisms; studies of the catalytic process at different scale levels (laboratory, pilot plant, industrial); kinetics of industrial and newly developed catalytic processes and development of kinetic models; nonlinear dynamics and nonlinear phenomena in catalysis: multiplicity of stationary states, stepwise changes in regimes, etc. Advances in catalysis: Catalysis and gas chemistry; catalysis and new energy technologies; biocatalysis; nanocatalysis; catalysis and new construction materials.History of the development of industrial catalysis.
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