TY - GEN

T1 - Mathematical Modeling the H2SO4-Catalyzed Alkylation of Isobutane with Olefins

AU - Shvareva, Elena

AU - Enikeeva, Leniza

AU - Agzamova, Milyausha

N1 - Funding Information: The reported study was funded by RFBR under the project numbers 19-37-60014 “Perspectiva”. Publisher Copyright: © 2023, The Author(s), under exclusive license to Springer Nature Switzerland AG.

PY - 2023

Y1 - 2023

N2 - The purpose of this work is to develop a mathematical model of sulfuric acid alkylation of isobutane by olefins, taking into account the physical and chemical laws of the process. Due to the increased environmental requirements for fuel, the relevance of sulfuric acid alkylation of isobutane with olefins, as it allows us to achieve good results in this matter. Significant features of the technology that need to be taken into account when modeling are identified. The main schemes of transformations of sulfuric acid alkylation of isobutane by olefins are considered. The probability of all reactions is estimated from the Gibbs energy value. The model is a system of ordinary nonlinear differential equations. The direct problem was solved by Radau IIA method. During the simulation, heuristic optimization methods were used, the Electromagnetism like Algorithm and the Harmony Search algorithm were considered to minimize the deviation of experimental data from theoretical ones. The rate constants of the reaction under consideration are found. The foundations for further modeling of the entire chemical-technological process are laid.

AB - The purpose of this work is to develop a mathematical model of sulfuric acid alkylation of isobutane by olefins, taking into account the physical and chemical laws of the process. Due to the increased environmental requirements for fuel, the relevance of sulfuric acid alkylation of isobutane with olefins, as it allows us to achieve good results in this matter. Significant features of the technology that need to be taken into account when modeling are identified. The main schemes of transformations of sulfuric acid alkylation of isobutane by olefins are considered. The probability of all reactions is estimated from the Gibbs energy value. The model is a system of ordinary nonlinear differential equations. The direct problem was solved by Radau IIA method. During the simulation, heuristic optimization methods were used, the Electromagnetism like Algorithm and the Harmony Search algorithm were considered to minimize the deviation of experimental data from theoretical ones. The rate constants of the reaction under consideration are found. The foundations for further modeling of the entire chemical-technological process are laid.

KW - Alkylation

KW - Chemical kinetics

KW - Electromagnetism-like Algorithm

KW - Harmony Search Algorithm

KW - Mathematical model

UR - http://www.scopus.com/inward/record.url?scp=85142740109&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/6718b70c-ed2d-3e8d-8a19-f5fd25e576c0/

U2 - 10.1007/978-3-031-11058-0_57

DO - 10.1007/978-3-031-11058-0_57

M3 - Conference contribution

AN - SCOPUS:85142740109

SN - 9783031110573

T3 - Lecture Notes in Networks and Systems

SP - 579

EP - 585

BT - Networked Control Systems for Connected and Automated Vehicles - Volume 1

A2 - Guda, Alexander

PB - Springer Science and Business Media Deutschland GmbH

T2 - International School on Neural Networks, NN 2022

Y2 - 8 February 2022 through 10 February 2022

ER -