Study of the kinetic regularities and mechanism of the cycloalkylation reaction of phenol with 1-methylcyclopentadiene

The article presents the results of the reaction of phenol with 1-methylcyclopentadiene in the presence of the KU-23 catalyst. Cycloalkylation of phenol have been carried out in a batch laboratory installation. After the reaction, the alkylate is separated from the catalyst and rectified. Firstly, during rectification at atmospheric pressure MCP and phenol that did not enter into the reaction were distilled off (up to 200° C), and then, under vacuum (666.5 Pa) the target reaction product was isolated and its purity and physicochemical parameters were determined. The kinetic regularities of the reaction were studied, and the probable mechanism of its occurrence was established. A kinetic model of the phenol cycloalkylation reaction, consisting of a system of differential equations, that describes the change in the concentration of the initial substances and reaction products over time has been developed. The kinetic constants of differential equations were estimated using a modified random search method with automatic step selection. For this purpose, the developed package of applied programs was used. The orders, activation energies, and rate constants of individual stages are determined. It is shown that the proposed model adequately describes the experimental data.