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

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.