Vol. 337 No. 7 (2026)
DOI https://doi.org/10.18799/24131830/2026/7/5338
Hydrodynamic modeling of an industrial reactor for sulfuric acid alkylation of isobutane with olefins
Relevance. The need to intensify existing industrial installations for the production of environmentally friendly high-octane alkylbenzene. Dispersion of hydrocarbon and sulfuric acid in the synthesis reactor determines the quality of the resulting gasoline, therefore it is necessary to use a hydrodynamic model of the alkylation contactor, which will allow selecting process parameters to increase the conversion of feedstock components into branched C8 isomers and the quality of the product. Aim. To select hydrodynamic parameters for the synthesis of alkyl gasoline in a sulfuric acid environment, which increases the octane number of the product flow; to identify bottlenecks in the current alkylation contactor. Object. Industrial unit for sulfuric acid alkylation of isobutane with lower olefins using STRATCO technology. Methods. Hydrodynamic model taking into account the heat exothermic reactions of isobutane alkylation with C3–C4 olefins. The model allows calculating hydrodynamic parameters and distribution profiles based on the physicochemical characteristics of the flows. Results and conclusion. The article describes the hydrodynamic model of the contactor for sulfuric acid alkylation of isobutane with olefins, and presents equations for determining the density, heat capacity and thermal conductivity of hydrocarbons. During hydrodynamic calculations, hold-up spots were found in an industrial reactor, which were determined by the distribution profile of the sulfuric acid concentration in the reactor. Using hydrodynamic calculations, the authors estimated heat removal effect on the quality of mixing and the outlet temperature. They calculated thermal conductivity coefficient (λ). The paper shows the possibility of increasing the octane number by more than 0.7 points, and gives the temperature profiles of the alkylation reactor for different thermal conductivity coefficients.
For citation: Kopycheva U.N., Chuzlov V.A. Hydrodynamic model of a contactor for sulfuric acid alkylation of isobutane with olefins. Bulletin of the Tomsk Polytechnic University. Geo Assets Engineering, 2026, vol. 337, no. 7, pp. 58-65. https://doi.org/10.18799/24131830/2026/7/5338
Keywords:
sulfuric acid alkylation, hydrodynamic model, alkyl benzene, modeling, optimization, process conditions
References:
1. Pan J., Zhang C., Wan H., Guan G. Techno-economic and environmental assessments for different scenarios of utilizing n-butane in sulfuric acid alkylation process: Direct sale and maleic anhydride production. Chemical Engineering Research and Design, 2025, vol. 8, pp. 230–243.
2. Albright L.F., Spalding M.A., Faunce J., Eckert R.E. Alkylation of isobutane with C4 olefins. 3. Two-step process using sulfuric acid as catalyst. Industrial & Engineering Chemistry Research, 1988, vol. 27, no. 3, pp. 391–397.
3. Albright L.F., Li K.W. Alkylation of isobutane with light olefins using sulfuric acid. Reaction mechanism and comparison with HF alkylation. Industrial & Engineering Chemistry Research, 1970, vol. 9, no. 3, pp. 447–454.
4. Albright L.F. Mechanism for alkylation of isobutane with light olefins. Industrial and Laboratory Alkylations. Eds. L.F. Albright, A.R. Goldsby. Washington, DC, ACS, 1977. Vol. 55, pp 128–146.
5. Cao P., Zheng L., Sun W.Z., Zhao L. Multiscale modeling of isobutane alkylation with mixed c4 olefins using sulfuric acid as catalyst. Industrial & Engineering Chemistry Research, 2019, vol. 58, pp. 6340–6349.
6. Wang P., Wang D., Xu C., Gao J. DFT calculations of the alkylation reaction mechanisms of isobutane and 2-butene catalyzed by Bronsted acid. Applied Catalysis A: General, 2007, vol. 332, pp. 22–26.
7. Xin Z.C., Jiang H.B., Zhang Z., Chen Y., Wang J. Kinetic model of olefins/isobutane alkylation using sulfuric acid as catalyst. ACSOmega, 2022, vol. 7, pp. 9513–9526.
8. Sun W., Shi Y., Chen J., Xi Z., Zhao L. Alkylation Kinetics of Isobutane by C4 Olefins Using Sulfuric Acid as Catalyst. Industrial & Engineering Chemistry Research, 2013, vol. 52, pp. 15262–15269.
9. Ivanchina E.D., Ivashkina E.N., Dolganova I.O., Chuzlov V.A, Kopycheva U.N., Ivancin N.R. Predictive modeling of the kinetics of deactivation of liquid-phase alkylation of hydrocarbons processes. Petroleum and Coal, 2021, vol. 63, no. 2, pp. 447–454.
10. Zhang W., Jiang H. Comparative analysis of sulfuric acid alkylation technologies based on a reaction kinetic model. Processes, 2025, vol. 13, no. 5, pp. 1604.
11. Meyers R.A. Handbook of petroleum refining processes. NY, McGrawHill, 2003. 900 p.
12. Akhmetov S.A. Technology of deep oil and gas production. Ufa, Gilem Publ., 2002. 672 p. (In Russ.)
13. Nurmakanova A.E., Ivashkina E.N., Ivanchina E.D., Dolganov I., Boychenko S. Predicting alkylate yield and its hydrocarbon composition for sulfuric acid catalyzed isobutane alkylation with olefins using the method of mathematical modeling. Procedia Chemistry, 2015, vol. 15, pp. 54–64.
14. National Institute of Standards and Technology (NIST). USA, Gaithersburg, Database, 2025. Available at: https://data.nist.gov/ (accessed: 30 March 2025).
15. Tomiyama A. Struggle with computational bubble dynamics. Multiphase Science and Technology, 1998, vol. 10, pp. 369–405.
16. Marfaing O., Guingo M., Laviéville J., Mimouni S., Baglietto E. Comparison and uncertainty quantification of two-fluid models for bubbly flows with NEPTUNE_CFD and STAR-CCM+. Nuclear Engineering and Design, 2018, vol. 337, pp. 1–16.
17. Shaver D.R., Podowski M.Z. Modeling of interfacial forces for bubbly flows in subcooled boiling conditions. Transactions of the American Nuclear Society, 2015, vol. 113, pp. 1368–1371.
18. Clift R., Grace J.R., Weber M.E. Bubbles, drops, and particles. New York, Academic Press Publ., 1978. 394 p.
19. Reiss C., Gerschenfeld A., Colin C. Building a boiling-flow multiphase cfd framework for interfacial area and heat transfer modeling. 20th International Topical Meeting on Nuclear Reactor Thermal Hydraulics, 2023, vol. 2, pp. 225–238.
20. Zhan M., Xie C., Shu J. Microwave probe sensing location for Venturi-based real-time multiphase flowmeter. Journal of Petroleum Science and Engineering, 2022, vol. 218, p. 11027.
21. Lisitsyn N.V., Viktorov V.K., Kuzichkin N.V., Fedorov V.I. Chemical engineering systems: optimization and resource saving. St Petersburg, Mendeleev Publ., 2013. 392 p. (In Russ.)
