Mathematical Modeling of the Vacuum Gas Oil Hydrotreatment

A. M. Vorob’ev, N. Belinskaya, D. Afanasieva, S. Arkenova, T. Kaliev, E. Krivtsov, E. Ivashkina, N. Krivtsova
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Abstract

Thermochemical properties of molecules and thermodynamic characteristics of vacuum distillate hydrotreatment were calculated by quantumchemical methods. A kinetic model of the hydrotreatment process was developed using a formalized transformation scheme of hydrocarbons. The developed kinetic model was employed in numerical studies aimed to estimate the effect of the feedstock composition on the residual content of heteroatomic components in the product of vacuum gas oil hydrotreatment, the effect of temperature on the content of aromatic hydrocarbons, nitrogen and sulfur in the hydrotreatment product, and the effect of the hydrogen-containing gas consumption on the content of sulfur and hydrogen sulfide in the hydrotreated vacuum gas oil.
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真空气油加氢处理的数学建模
用量子化学方法计算了分子的热化学性质和真空馏分加氢处理的热力学特性。利用烃类的形式化转化方案建立了加氢处理过程的动力学模型。采用所建立的动力学模型进行了数值研究,研究了原料组成对真空气油加氢处理产物中杂原子组分残留量的影响,温度对加氢处理产物中芳烃、氮和硫含量的影响,含氢气体用量对加氢处理后的真空气油中硫和硫化氢含量的影响。
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