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

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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.

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Khlebnikova, E. S., Ivashkina, E. N., & Pappel, K. (2016). Quantum-chemical Modeling of Benzene with Ethylene Alkylation Reactions Using Liquid-phase Catalyst. In Procedia Engineering (Vol. 152, pp. 2–7). Elsevier Ltd. https://doi.org/10.1016/j.proeng.2016.07.605

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