Petroleum Chemistry ( IF 1.3 ) Pub Date : 2021-07-30 , DOI: 10.1134/s0965544121090036 N. A. Samoilov 1
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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.
中文翻译：
多组分反应体系中反应速率常数的动力学特性
摘要
以柴油燃料加氢处理为例，考虑了多组分反应系统的数学建模原理。含有大量有机硫组分的进料，从提高模型充分性和计算精度的角度，可以用以下参数表征：(a) 总硫浓度，(b) 进料中伪组分的总硫含量或其窄馏分，以及 (c) 单个有机硫化合物的浓度。在情况 (а) 和 (b) 中，反应速率常数作为表征物理化学过程的常数的概念退化，并且在计算中应将此量视为考虑到过程不均匀性的动力学特性。
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