Quantum-chemical Modeling of Benzene with Ethylene Alkylation Reactions Using Liquid-phase Catalyst

E. S. Khlebnikova, E. N. Ivashkina, K. Pappel

Research output: Contribution to journalArticle

Abstract

The article describes the results of thermodynamic and kinetic parameters determination of benzene with ethylene alkylation reactions in the presence of liquid-phase catalyst. During the process a list of reactions was considered, activation energy and reaction rate constants are determined. These parameters were used as the basis for the mathematical model development in benzene with ethylene alkylation.

Original languageEnglish
Pages (from-to)2-7
Number of pages6
JournalProcedia Engineering
Volume152
DOIs
Publication statusPublished - 2016
EventInternational Conference on Oil and Gas Engineering, OGE 2016 - Omsk, Russian Federation
Duration: 25 Apr 201630 Apr 2016

Fingerprint

Alkylation
Benzene
Ethylene
Catalysts
Liquids
Kinetic parameters
Reaction rates
Rate constants
Activation energy
Chemical activation
Thermodynamics
Mathematical models

Keywords

  • alkylation
  • mathematical modeling
  • quantum chemistry
  • thermodynamics

ASJC Scopus subject areas

  • Engineering(all)

Cite this

Quantum-chemical Modeling of Benzene with Ethylene Alkylation Reactions Using Liquid-phase Catalyst. / Khlebnikova, E. S.; Ivashkina, E. N.; Pappel, K.

In: Procedia Engineering, Vol. 152, 2016, p. 2-7.

Research output: Contribution to journalArticle

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