KINETIC MODELING OF THE ISOPHORONE SYNTHESIS REACTION

The work is devoted to the development and verification of a kinetic model for the synthesis of isophorone (CAS 78-59-1) from acetone in the presence of a homogeneous catalyst and alkali. The proposed model is aimed at accurately predicting changes in the concentrations of reagents and products during the reaction process, which is important for optimizing production. The model allows us to calculate the behavior of the reaction system in flow-through and ring-type chemical reactors, which makes it a universal tool for various types of industrial installations. Experimental data were used to create the model, which made it possible to minimize deviations between calculated and actual concentrations of reagents and products. The type and parameters of the model were obtained by minimizing deviations of experimental and calculated values of concentrations of reagents and products, while the model showed its adequacy to the experiment. The limits of applicability of the model were checked through computational experiments at various acetone-alkali ratios and temperature conditions. The results obtained demonstrated the high accuracy of the model's predictions and its adequacy in real conditions. The application of the model has shown that it is able to predict the behavior of the system under various conditions, which is especially important for practical chemical engineering. This makes it possible to reduce the number of experiments at the reactor design stage and reduce the cost of producing isoforone. The model also demonstrated good agreement with experimental data at various temperature conditions, which confirms its reliability and applicability in a wide range of conditions. The kinetic model of isophorone synthesis is an important tool for predicting and optimizing technological processes in industry, providing precise control of reaction parameters to produce isophorone on a large scale with minimal deviations. For citation: Shishanov M.V., Kuk C.G., Gevorkyan E.L. Kinetic modeling of the isophorone synthesis reaction. ChemChemTech [Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol.]. 2025. V. 68. N 6. P. 134-139. DOI: 10.6060/ivkkt.20256806.7172.