The estimation of reactions occurrence probability in liquid-phase catalytic benzene via olefins alkylation process with use of quantum chemical methods for thermodynamic functions was carried out. Built on calculation results formalized reaction network became the base for mathematical model of alkylation reactor development. Method for inverse kinetic problem solving was proposed and implemented. The developed computer modeling system is sensitive to raw materials composition of process conditions. This makes it effective in problems of industrial plant for the production of linear alkyl benzene optimization solving.
|Журнал||Petroleum and Coal|
|Состояние||Опубликовано - окт 2011|
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