DEVELOPMENT OF COMPUTER MODELING SYSTEM AS A TOOL FOR IMPROVEMENT OF LINEAR ALKYLBENZENE PRODUCTION

The estimation of reactions occurrence probability in liquid-phase catalytic benzene via olefins alkylationprocess with use of quantum chemical methods for thermodynamic functions was carried out. Builton calculation results formalized reaction network became the base for mathematical model ofalkylation reactor development. Method for inverse kinetic problem solving was proposed andimplemented. The developed computer modeling system is sensitive to raw materials compositionof process conditions. This makes it effective in problems of industrial plant for the production oflinear alkyl benzene optimization solving.