Solving inverse problems of chemical kinetics by metaheuristic methods

• Published in: Reaction kinetics, mechanisms and catalysis mechanisms and catalysis, 2022-02, Vol.135 (1), p.123-133
• Main Authors: Enikeeva, L. V., Gubaydullin, I. M., Agzamova, M. R.
• Format: Article
• Language: English
• Subjects: Catalysis; Chemistry; Chemistry and Materials Science; Industrial Chemistry/Chemical Engineering; Physical Chemistry
• ISSN: 1878-5190; 1878-5204
• DOI: 10.1007/s11144-022-02153-6

The paper continues the cycle of works devoted to the development of a bank of meta-heuristic methods for solving conditional global optimization problems that arise when solving inverse problems of chemical kinetics. This work discusses the process of sulfuric acid alkylation of isobutane with olefins. Sulfuric acid alkylation of isobutane with olefins allows the processing of butane-butylene fraction to obtain a high-octane component of motor gasoline with a minimum content of aromatic hydrocarbons that does not contain benzene. The main schemes of transformations of sulfuric acid alkylation of isobutane by olefins, probable from the point of view of thermodynamics, are considered. Based on the literary analysis of possible transformation schemes, the mechanism of the process and on the basis of literary data, a mathematical model of the reactor unit of the process was developed and kinetic parameters were determined. Calculations were carried out to find the optimal ratio of isobutane:olefin in raw materials to increase the yield of the target and reduce the yield of by-products of the sulfuric acid alkylation of isobutane by olefins.