Eine Plattform für die Wissenschaft: Bauingenieurwesen, Architektur und Urbanistik
Eine Plattform für die Wissenschaft: Bauingenieurwesen, Architektur und Urbanistik
Quantum-chemical simulation of the benzene alkylation reaction with ethane on H-ZSM-5 catalyst
Abstract Quantum chemistry and chemical thermodynamics methods have been used to calculate the energy characteristics of the direct alkylation reaction of benzene with ethane catalyzed by H-ZSM-5, an unmodified zeolite in the decationized form. It has been shown that the reaction of ethylbenzene synthesis from benzene and ethane with a small yield is thermodynamically feasible at temperatures below 400°C. The catalyst H-ZSM-5 significantly reduces the energy of the formation reaction of the benzyl and ethyl radicals.
Quantum-chemical simulation of the benzene alkylation reaction with ethane on H-ZSM-5 catalyst
Abstract Quantum chemistry and chemical thermodynamics methods have been used to calculate the energy characteristics of the direct alkylation reaction of benzene with ethane catalyzed by H-ZSM-5, an unmodified zeolite in the decationized form. It has been shown that the reaction of ethylbenzene synthesis from benzene and ethane with a small yield is thermodynamically feasible at temperatures below 400°C. The catalyst H-ZSM-5 significantly reduces the energy of the formation reaction of the benzyl and ethyl radicals.
Quantum-chemical simulation of the benzene alkylation reaction with ethane on H-ZSM-5 catalyst
Gerzeliev, I. M. (Autor:in) / Shavaleev, D. A. (Autor:in) / Gyul’maliev, A. M. (Autor:in)
Petroleum Chemistry ; 57 ; 424-429
01.05.2017
6 pages
Aufsatz (Zeitschrift)
Elektronische Ressource
Englisch
Synthesis of Modified Catalyst for Liquid Phase Alkylation of Benzene with Ethylene
| Springer Verlag | 2020
Synthesis of a Zeolite-Containing Catalyst for Gas-Phase Alkylation of Benzene with Ethylene
| Springer Verlag | 2020
Alkylation of benzene and toluene with chloromethyl-gem-dichlorocyclopropanes
| Springer Verlag | 2012
Alkylation of benzene with propylene on superhigh-silica zeolites
| Elsevier | 1980