Development of computer modeling system as a tool for improvement of linear alkylbenzene production

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16 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)244-250
Number of pages7
JournalPetroleum and Coal
Volume53
Issue number4
Publication statusPublished - Oct 2011

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Alkylation
Benzene
Olefins
Industrial plants
Raw materials
Thermodynamics
Mathematical models
Kinetics
Liquids
Chemical analysis

Keywords

  • Alkylation
  • Efficiency of production
  • Mathematical modeling

ASJC Scopus subject areas

  • Energy(all)

Cite this

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abstract = "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.",
keywords = "Alkylation, Efficiency of production, Mathematical modeling",
author = "Dolganova, {Irena O.} and Dolganov, {Igor M.} and Ivanchina, {Emilia D.} and Ivashkina, {Elena N.}",
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AU - Dolganova, Irena O.

AU - Dolganov, Igor M.

AU - Ivanchina, Emilia D.

AU - Ivashkina, Elena N.

PY - 2011/10

Y1 - 2011/10

N2 - 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.

AB - 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.

KW - Alkylation

KW - Efficiency of production

KW - Mathematical modeling

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VL - 53

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JF - Petroleum and Coal

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