vguitВестник Воронежского государственного университета инженерных технологийProceedings of the Voronezh State University of Engineering Technologies2226-910X2310-1202VSUET10.20914/2310-1202-2024-3-274-281vguit-3531Research ArticleХимическая технологияFundamental and Applied chemistry, chemical technologyСравнительное исследование геометрических характеристик микрокапилляров для проведения химических реакцийComparative study of geometric characteristics of microcapillaries for chemical reactionshttps://orcid.org/0000-0003-2861-5878ШишановМ. В.ShishanovM. V.

к.т.н., доцент, кафедра химической технологии природных энергоносителей и углеродных материалов, Миусская площадь, д.9 стр.1, г. Москва, 125047, Россия

Cand. Sci. (Engin.), associate professor, chemical technology of natural energy carriers and carbon materials department, Miusskaya Square, 9 str.1, Moscow, 125047, Russia

shishanov.m.v@muctr.ruhttps://orcid.org/0009-0005-7115-6760КукХ. Г.CookC. G.

аспирант, кафедра химической технологии природных энергоносителей и углеродных материалов, Миусская площадь, д.9 стр.1, г. Москва, 125047, Россия

graduate student, chemical technology of natural energy carriers and carbon materials department, Miusskaya Square, 9 str.1, Moscow, 125047, Russia

kuk.khristofor@inbox.ruhttps://orcid.org/0009-0005-4510-5046ГеворкянЭ. Л.GevorkyanE. L.

магистрант, кафедра передовой инженерной школы химического инжиниринга и машиностроения, Миусская площадь, д.9 стр.1, г. Москва, 125047, Россия

master student, advanced engineering school of chemical engineering and mechanical engineering department, Miusskaya Square, 9 str.1, Moscow, 125047, Russia

eliza.gevorkyan15@mail.ruhttps://orcid.org/0009-0006-2055-4205БотневА. Ю.BotnevA. Y.

магистрант, , Миусская площадь, д.9 стр.1, г. Москва, 125047, Россия

master student, advanced engineering school of chemical engineering and mechanical engineering department, Miusskaya Square, 9 str.1, Moscow, 125047, Russia

botnev2001@gmail.comРоссийский химико-технологический университет имени Д.И. МенделееваMendeleev University of Chemical Technology of Russia202402122024863274281Copyright © Шишанов М.В., Кук Х.Г., Геворкян Э.Л., Ботнев А.Ю., 20242024Шишанов М.В., Кук Х.Г., Геворкян Э.Л., Ботнев А.Ю.Shishanov M.V., Cook C.G., Gevorkyan E.L., Botnev A.Y.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://www.vestnik-vsuet.ru/vguit/article/view/3531

В данной статье проведено комплексное сравнительное исследование различных геометрических характеристик микрокапилляров, которые используются для проведения химических реакций. Рассмотрены три основные формы микрокапилляров: серпантинная, фрактальная и лобулярная. Основное внимание уделено тому, как геометрия микрокапилляров влияет на ключевые параметры реакционного процесса, включая эффективность смешения реагентов, распределение потоков, теплопередачу и скорость реакции. Оптимизация этих параметров является крайне важной для повышения производительности химических процессов в микромасштабах. Для моделирования использовалось программное обеспечение COMSOL Multiphysics, которое дало возможность провести оценку гидродинамических характеристик, таких как число Рейнольдса, коэффициенты перемешивания и профиль распределения температуры. В исследование также включены расчеты критериев, используемых для количественной оценки эффективности смешения реагентов. Кроме численного моделирования, проведены эксперименты, результаты которых использовались для верификации полученных расчетных данных. Это позволило повысить точность и достоверность выводов. Результаты исследования показывают, что выбор геометрии микрокапилляров оказывает значительное влияние на гидродинамические параметры течения и, следовательно, на общую эффективность химических реакций. Например, серпантинная геометрия может обеспечивать лучшее перемешивание на ранних этапах реакции, тогда как кишкообразная форма может быть оптимальной для длительных процессов с высокой скоростью теплообмена. Выводы данной работы содержат практические рекомендации по выбору геометрии микрокапилляров в зависимости от специфики химической реакции. На примере самоконденсации ацетона была выявлена подходящая геометрия – лобулярная. Рекомендации направлены на повышение производительности, улучшение качества продуктов реакции и снижение энергетических затрат.

In this paper, a comprehensive comparative study of various geometrical characteristics of microcapillaries used for chemical reactions is carried out. Three main shapes of microcapillaries are considered: serpentine, fractal and lobular. The focus is on how microcapillary geometry affects key parameters of the reaction process, including reactant mixing efficiency, flow distribution, heat transfer, and reaction rate. Optimization of these parameters is critical to improve the performance of chemical processes at the microscale. COMSOL Multiphysics software was used for the simulations, which enabled the evaluation of hydrodynamic characteristics such as Reynolds number, mixing coefficients and temperature distribution profile. The study also includes calculations of criteria used to quantify the efficiency of reagent mixing. In addition to numerical modeling, experiments were conducted, the results of which were used to verify the obtained calculated data. This improved the accuracy and reliability of the conclusions. The results of the study show that the choice of microcapillary geometry has a significant influence on the hydrodynamic parameters of the flow and, consequently, on the overall efficiency of chemical reactions. For example, serpentine geometry may provide better mixing in the early stages of the reaction, whereas a brush-like shape may be optimal for long-term processes with high heat transfer rates. The conclusions of this work provide practical recommendations for the choice of microcapillary geometry depending on the specifics of the chemical reaction. Using the example of acetone self-condensation, a suitable geometry, lobular, was identified. The recommendations are aimed at increasing productivity, improving the quality of reaction products and reducing energy costs.

микроканалыгеометрические характеристикичисло Рейнольдсачисло Пеклеперепад давлениясмешиваниемикрофлюидные системыmicrochannelsgeometrical characteristicsReynolds numberPeclet numberpressure dropmixingmicrofluidic systemsReferencesYan L., Wang S., Cheng Y. Numerical Simulation of Mixing Process in a Splitting-and-Recombination Microreactor // Frontiers in Chemical Engineering. 2022. V. 3. P. 1–12. doi: 10.3389/fceng.2021.803861Yan L., Wang S., Cheng Y. Numerical Simulation of Mixing Process in a Splitting-and-Recombination Microreactor. Frontiers in Chemical Engineering. 2022. vol. 3. pp. 1–12. doi: 10.3389/fceng.2021.803861García-López I., Águeda V.I., Garrido-Escudero A. Hydrodynamic behavior of a novel 3D-printed nature-inspired microreactor with a high length-to-surface ratio // Chemical Engineering Journal Advances. 2023. V. 13. P. 1–9. doi: 10.1016/j.ceja.2022.100438García-López I., Águeda V.I., Garrido-Escudero A. Hydrodynamic behavior of a novel 3D-printed nature-inspired microreactor with a high length-to-surface ratio. Chemical Engineering Journal Advances. 2023. vol. 13. pp. 1–9. doi: 10.1016/j.ceja.2022.100438Bojang A.A., Wu H.S. Design, fundamental principles of fabrication and applications of microreactors // Processes. 2020. V. 8. №. 8. P. 891–922. doi: 10.3390/pr8080891Bojang A.A., Wu H.S. Design, fundamental principles of fabrication and applications of microreactors. Processes. 2020. vol. 8. no. 8. pp. 891–922. doi: 10.3390/pr8080891Ruther T., Muller M.-A., Bonrath W., Eisenacher M. The Production of Isophorone // Encyclopedia. 2023. №. 3. P. 224–244. doi: 10.3390/encyclopedia3010015Ruther T., Muller M.-A., Bonrath W., Eisenacher M. The Production of Isophorone. Encyclopedia. 2023. no. 3. pp. 224–244. doi: 10.3390/encyclopedia3010015Houssaini J. et al. Study of the Catalytic Activity of the Compounds Hydrotalcite Type Treated by Microwave in the Self‐Condensation of Acetone // International Journal of Analytical Chemistry. 2021. V. 2021. №. 1. P. 15–21. doi: 10.1155/2021/1551586Houssaini J. et al. Study of the Catalytic Activity of the Compounds Hydrotalcite Type Treated by Microwave in the Self‐Condensation of Acetone. International Journal of Analytical Chemistry. 2021. vol. 2021. no. 1. pp. 15–21. doi: 10.1155/2021/1551586Veshchitsky G.A. et al. Self-Condensation of Acetone of Strontium Stannate under Supercritical Conditions // Russian Journal of Physical Chemistry B. 2021. V. 15. №. 8. P. 1299–1302. doi: 10.1134/S1990793121080133Veshchitsky G.A. et al. Self-Condensation of Acetone of Strontium Stannate under Supercritical Conditions. Russian Journal of Physical Chemistry B. 2021. vol. 15. no. 8. pp. 1299–1302. doi: 10.1134/S1990793121080133Liu Y., Luo W.Y. YMgAl-LDO Synthesis and its Catalytic Performance for Preparation of Isophorone by Condensation of Acetone // Current Micro-Nano Science and Technology. 2015. №. 1118. P. 265–269. doi: 10.4028/www.scientific.net/AMR.1118.265Liu Y., Luo W.Y. YMgAl-LDO Synthesis and its Catalytic Performance for Preparation of Isophorone by Condensation of Acetone. Current Micro-Nano Science and Technology. 2015. no. 1118. pp. 265–269. doi: 10.4028/www.scientific.net/AMR.1118.265Пат. № 2807773, RU, F15D 1/00. Mодульный проточный микрофлюидный реактор для проведения химических реакций при высоких давлении и температуре/ Яшунин Д.В., Кук Х.Г., Большаков И.А., Досов К.А., Шишанов М.В., Колобов В.В. № 2023106740; Заявл. 22.03.2023; Опубл. 21.11.2023, Бюл. № 33.Yashunin D.V., Cook H.G., Bolshakov I.A., Dosov K.A. et al. Modular flow-through microfluidic reactor for conducting chemical reactions at high pressure and temperature. Patent RF, no. 2807773, 2023.Ruther T. et al. The Production of Isophorone // Encyclopedia. 2023. V. 3. №. 1. P. 224–244. doi: 10.3390/encyclopedia3010015Ruther T. et al. The Production of Isophorone. Encyclopedia. 2023. vol. 3. no. 1. pp. 224–244. doi: 10.3390/encyclopedia3010015Yao C. et al. Two-phase flow and mass transfer in microchannels: A review from local mechanism to global models // Chemical Engineering Science. 2021. V. 229. P. 29–47. doi: 10.1016/j.ces.2020.116017Yao C. et al. Two-phase flow and mass transfer in microchannels: A review from local mechanism to global models. Chemical Engineering Science. 2021. vol. 229. pp. 29–47. doi: 10.1016/j.ces.2020.116017Wang X., Hu Sh., Yang X., Zheng Sh. Thermal stability and kinetic analysis of isophorone diisocyanato // Thermochimica Acta. 2023. V. 727. P. 179–574. doi: 10.1016/j.tca.2023.179574Xiao Wang, Shuang Hu, Xia Yang, Shiqing Zheng. Thermal stability and kinetic analysis of isophorone diisocyanato. Thermochimica Acta. 2023. vol. 727. pp. 179–574. doi: 10.1016/j.tca.2023.179574.García A., Marín P., Ordóñez S. Production of renewable mesitylene as jet-fuel additive: Reaction kinetics of acetone self-condensation over basic (TiO2) and acid (Al-MCM41) catalysts // Fuel Processing Technology. 2024. V. 253. P. 108–110. doi: 10.1016/j.fuproc.2023.108007García A., Marín P., Ordóñez S. Production of renewable mesitylene as jet-fuel additive: Reaction kinetics of acetone self-condensation over basic (TiO2) and acid (Al-MCM41) catalysts. Fuel Processing Technology. 2024. vol. 253. pp. 108–110. doi: 10.1016/j.fuproc.2023.108007Reynolds J.P., Thompson T.N., Pritchard C.Q., Schulz M.D. et al. Chemorheological Kinetic Modeling of Uncatalyzed Hydroxyl-Terminated Polybutadiene and Isophorone Diisocyanate // Macromol. Mater. Eng. 2024. V. 309. P. 23–34. doi: 10.1002/mame.202300423Reynolds J.P., Thompson T.N., Pritchard C.Q., Schulz M.D. et al. Chemorheological Kinetic Modeling of Uncatalyzed Hydroxyl-Terminated Polybutadiene and Isophorone Diisocyanate. Macromol. Mater. Eng. 2024. vol. 309. pp. 23–34. doi: 10.1002/mame.202300423Herran R., Molinari F., Cimas A., Karp F., Amalvy J. Synthesis and characterization of bio‐based poly(urethane‐urea) nanocomposite coatings employing cellulose nanocrystals incorporated by two different routes // Polymer Composites. 2024. V. 45. P. 11–29. doi: 10.1002/pc.28602Herran R., Molinari F., Cimas A., Karp F., Amalvy J. Synthesis and characterization of bio‐based poly(urethane‐urea) nanocomposite coatings employing cellulose nanocrystals incorporated by two different routes. Polymer Composites. 2024. vol. 45. pp. 11–29. doi: 10.1002/pc.28602Tkachuk A.I., Zagora A.G., Terekhov I.V. et al. Isophorone Diamine – A Curing Agent for Epoxy Resins: Production, Application, Prospects. A Review. // Polym. Sci. Ser. D. 2022. V. 15. P. 171–176. doi: 10.1134/S1995421222020289Tkachuk, A.I., Zagora, A.G., Terekhov, I.V. et al. Isophorone Diamine – A Curing Agent for Epoxy Resins: Production, Application, Prospects. A Review. Polym. Sci. Ser. D. 2022. vol. 15. pp. 171–176. doi: 10.1134/S1995421222020289Ahmed M.I. Elkhaiary, Bartosz Rozmysłowicz, Jher Hau Yeap, Michael H. Studer et al. Kinetic Network Modeling of the Catalytic Upgrading of Biomass’s Acetate Fraction to Aromatics // Energy Fuels. 2023. V. 37. №. 20. P. 16172–16180Ahmed M.I. Elkhaiary, Bartosz Rozmysłowicz, Jher Hau Yeap, Michael H. Studer, et al. Kinetic Network Modeling of the Catalytic Upgrading of Biomass’s Acetate Fraction to Aromatics. Energy Fuels. 2023. vol. 37. no. 20. pp. 16172–16180.Chen L., Zheng K., Wang Y., Duan X. et al. Study of UV-cured tung oil-based polyalcohol resin with isophorone diisocyanate as crosslinker // European Polymer Journal. 2024. V. 218. P. 113–118. doi: 10.1016/j.eurpolymj.2024.113348Chen L., Zheng K., Wang Y., Duan X. et al. Study of UV-cured tung oil-based polyalcohol resin with isophorone diisocyanate as crosslinker. European Polymer Journal. 2024. vol. 218. pp. 113–118. doi: 10.1016/j.eurpolymj.2024.113348Arnould P., Simon F., Fouquay S., Pardal F. et al. Harnessing Catalysis Selectivity and Isophorone Diisocyanate Asymmetry for Tailored Polyurethane Prepolymers and Networks // Macromolecules. 2022. V. 55. №. 8. P. 3344–3352. doi: 10.1021/acs.macromol.1c02491Arnould P., Simon F., Fouquay S., Pardal F.et al. Harnessing Catalysis Selectivity and Isophorone Diisocyanate Asymmetry for Tailored Polyurethane Prepolymers and Networks. Macromolecules. 2022. vol. 55. no. 8. pp. 3344–3352. doi: 10.1021/acs.macromol.1c02491Etminan A., Muzychka Y.S., Pope K. A review on the hydrodynamics of Taylor flow in microchannels: Experimental and computational studies // Processes. 2021. V. 9. №. 5. P. 870–879. doi: 10.3390/pr9050870Etminan A., Muzychka Y.S., Pope K. A review on the hydrodynamics of Taylor flow in microchannels: Experimental and computational studies. Processes. 2021. vol. 9. no. 5. pp. 870–879. doi: 10.3390/pr9050870Kose H.A., Yildizeli A., Cadirci S. Parametric study and optimization of microchannel heat sinks with various shapes // Applied Thermal Engineering. 2022. V. 211. P. 118–136. doi: 10.1016/j.applthermaleng.2022.118368Kose H.A., Yildizeli A., Cadirci S. Parametric study and optimization of microchannel heat sinks with various shapes. Applied Thermal Engineering. 2022. vol. 211. pp. 118–136. doi: 10.1016/j.applthermaleng.2022.118368

The authors declare that there are no conflicts of interest present.