vguitВестник Воронежского государственного университета инженерных технологийProceedings of the Voronezh State University of Engineering Technologies2226-910X2310-1202VSUET10.20914/2310-1202-2026-2-vguit-3829Research ArticleХимическая технологияFundamental and Applied chemistry, chemical technologyМоделирование процесса образования полимерных капель в микрофлюидном устройстве Х-типаModeling of the formation process of polymer droplets in an X-type microfluidic devicehttps://orcid.org/0009-0008-5688-8017РыльковаА. Ю.RylkovaA. Y.

аспирант, кафедра химического и фармацевтического инжиниринга, пл. Миусская, 9, г. Москва, 125047, Россия

graduate student, chemical and pharmaceutical engineering department, Miusskaya sq., 9, Moscow, 125047, Russia

rylkovanas@mail.ruhttps://orcid.org/0009-0009-6475-0816СорокинС. В.SorokinS. V.

магистрант, кафедра химического и фармацевтического инжиниринга, пл. Миусская, 9, г. Москва, 125047, Россия

master student, chemical and pharmaceutical engineering department, Miusskaya sq., 9, Moscow, 125047, Russia

sorokin.s.v@list.ruhttps://orcid.org/0000-0002-6835-4513ГусеваЕ. В.GusevaE. V.

к.т.н., доцент, кафедра химического и фармацевтического инжиниринга, пл. Миусская, 9, г. Москва, 125047, Россия

Cand. Sci. (Engin.),, chemical and pharmaceutical engineering department, Miusskaya sq., 9, Moscow, 125047, Russia

guseva.e.v@muctr.ruРоссийский химико-технологический университет имени Д.И. МенделееваРоссияD. Mendeleev University of Chemical Technology of RussiaRussian Federation202630062026882376383Copyright © Рылькова А.Ю., Сорокин С.В., Гусева Е.В., 20262026Рылькова А.Ю., Сорокин С.В., Гусева Е.В.Rylkova A.Y., Sorokin S.V., Guseva E.V.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/3829

В данной работе изучен процесс образования полимерных капель в микрофлюидном устройстве Х-типа методом одностадийного эмульгирования двух несмешивающихся фаз, из эмульсии которых путем удаления остаточного растворителя на роторном испарителе формируются полимерные наночастицы. Было проведено математическое моделирование процесса образования полимерных капель в каналах микрофлюидного устройства Х-типа с использованием метода конечных разностей или конечных объемов в пакете программ вычислительной гидродинамики ANSYS Fluent 16.1. Данный метод решает единый набор уравнений сохранения для обеих фаз, отслеживая объемную долю сплошной и дисперсной фаз во всей расчетной области. Приведено математическое описание гидродинамического режима потоков сплошной и дисперсной фаз внутри микрофлюидного устройства. Модель учитывает поверхностное натяжение на границе двух фаз и смачиваемость стенок каналов. Кроме того, изучен процесс формирования полимерных наночастиц из образованной в микрофлюидном устройстве эмульсии капель методом испарения органического растворителя. Приведены расчеты размера наночастиц с учетом размера капель и коэффициента агрегации А, учитывающего коалесценцию между получаемыми в микрофлюидном устройстве полимерными каплями. Было проведено сравнение результатов эксперимента и моделирования и установлена относительная ошибка вычисления модели. Приведены результаты расчета размера наночастиц при различных вариантах соотношения расхода потоков дисперсной и сплошной фаз. На основании вычислительного эксперимента были определены значения расходов сплошной и дисперсной фаз, соотношение которых приводит к образованию наночастиц с размером, лежащим внутри требуемого диапазона. Разработанная математическая модель позволяет прогнозировать образование полимерных капель и, в дальнейшем, наночастиц необходимого размера.

In this work, the process of formation of polymer droplets in an X-type microfluidic device was studied by the method of one-step emulsification of two immiscible phases, from the emulsion of which polymer nanoparticles are formed by removing the residual solvent on a rotary evaporator. Mathematical modeling of the formation of polymer droplets in the channels of an X-type microfluidic device was carried out using the finite difference or finite volume method in the computational fluid dynamics software package ANSYS Fluent 16.1. This method solves a single set of conservation equations for both phases, tracking the volume fraction of the continuous and dispersed phases throughout the computational domain. A mathematical description of the hydrodynamic regime of flows of continuous and dispersed phases inside a microfluidic device is given. The model takes into account the surface tension at the interface between two phases and the wettability of the channel walls. In addition, the process of formation of polymer nanoparticles from a droplet emulsion formed in a microfluidic device by evaporation of an organic solvent was studied. Calculations of the size of nanoparticles are presented taking into account the size of the droplets and the aggregation coefficient A, which takes into account the coalescence between the polymer droplets obtained in the microfluidic device. The results of experiment and simulation were compared and the relative calculation error of the model was established. The results of calculating the size of nanoparticles for various variants of the ratio of flow rates of dispersed and continuous phases are presented. Based on a computational experiment, the flow rates of the continuous and dispersed phases were determined, the ratio of which leads to the formation of nanoparticles with a size lying within the required range. The developed mathematical model makes it possible to predict the formation of polymer droplets and, subsequently, nanoparticles of the required size

микрофлюидное устройство Х-типаполимерные каплиматематическое моделированиеANSYS FluentгидродинамикаX-type microfluidic devicepolymer dropletsmathematical modelingANSYS FluenthydrodynamicsReferencesTian C., Tu Q., Liu W., Wang J. Recent advances in microfluidic technologies for organ-on-a-chip // TrAC Trends in Analytical Chemistry. 2019. V. 117. P. 146–156.Tian, C., et al. "Recent Advances in Microfluidic Technologies for Organ-on-a-Chip." TrAC Trends in Analytical Chemistry, vol. 117, 2019, pp. 146–156.Maurice A., Theisen J., Gabriel J.C.P. Microfluidic lab-on-chip advances for liquid–liquid extraction process studies // Current Opinion in Colloid & Interface Science. 2020. V. 46. P. 20–35.Maurice, A., J. Theisen, and J.C.P. Gabriel. "Microfluidic Lab-on-Chip Advances for Liquid–Liquid Extraction Process Studies." Current Opinion in Colloid & Interface Science, vol. 46, 2020, pp. 20–35.Sohrabi S., Moraveji M.K. Droplet microfluidics: Fundamentals and its advanced applications // RSC Advances. 2020. V. 10. № 46. P. 27560–27574.Sohrabi, S., and M.K. Moraveji. "Droplet Microfluidics: Fundamentals and Its Advanced Applications." RSC Advances, vol. 10, no. 46, 2020, pp. 27560–27574.Ding Y. et al. Recent advances in droplet microfluidics // Analytical Chemistry. 2019. V. 92. № 1. P. 132–149.Ding, Y., P.D. Howes, and A.J. deMello. "Recent Advances in Droplet Microfluidics." Analytical Chemistry, vol. 92, no. 1, 2019, pp. 132–149.Abedini-Nassab R., Pouryosef Miandoab M., Şaşmaz M. Microfluidic synthesis, control, and sensing of magnetic nanoparticles: A review // Micromachines. 2021. V. 12. № 7. P. 768.Abedini-Nassab, R., et al. "Microfluidic Synthesis, Control, and Sensing of Magnetic Nanoparticles: A Review." Micromachines, vol. 12, no. 7, 2021, p. 768.Lepeltier E., Bourgaux C., Couvreur P. Nanoprecipitation and the “Ouzo effect”: Application to drug delivery devices // Advanced Drug Delivery Reviews. 2014. V. 71. P. 86–97.Lepeltier, E., C. Bourgaux, and P. Couvreur. "Nanoprecipitation and the ‘Ouzo Effect’: Application to Drug Delivery Devices." Advanced Drug Delivery Reviews, vol. 71, 2014, pp. 86–97.Moinard-Checot D., Chevalier Y., Briançon S., Beney L. et al. Mechanism of nanocapsules formation by the emulsion–diffusion process // Journal of Colloid and Interface Science. 2008. V. 317. № 2. P. 458–468.Moinard-Checot, D., et al. "Mechanism of Nanocapsules Formation by the Emulsion–Diffusion Process." Journal of Colloid and Interface Science, vol. 317, no. 2, 2008, pp. 458–468.Nair L.S., Laurencin C.T. Polymers as biomaterials for tissue engineering and controlled drug delivery // Tissue Engineering I. Berlin, Heidelberg: Springer, 2005. P. 47–90.Nair, L.S., and C.T. Laurencin. "Polymers as Biomaterials for Tissue Engineering and Controlled Drug Delivery." Tissue Engineering I, Springer, Berlin, Heidelberg, 2005, pp. 47–90.Kietzke T., Neher D., Landfester K., Montenegro R. et al. Novel approaches to polymer blends based on polymer nanoparticles // Nature Materials. 2003. V. 2. № 6. P. 408–412.Kietzke, T., et al. "Novel Approaches to Polymer Blends Based on Polymer Nanoparticles." Nature Materials, vol. 2, no. 6, 2003, pp. 408–412.Staff R.H., Lieberwirth I., Landfester K., Crespy D. Preparation and characterization of anisotropic submicron particles from semicrystalline polymers // Macromolecular Chemistry and Physics. 2012. V. 213. № 3. P. 351–358.Staff, R.H., et al. "Preparation and Characterization of Anisotropic Submicron Particles from Semicrystalline Polymers." Macromolecular Chemistry and Physics, vol. 213, no. 3, 2012, pp. 351–358.Staff R.H., Gallei M., Mazurowski M., Rehahn M. Patchy nanocapsules of poly(vinylferrocene)-based block copolymers for redox-responsive release // ACS Nano. 2012. V. 6. № 10. P. 9042–9049.Staff, R.H., et al. "Patchy Nanocapsules of Poly(vinylferrocene)-Based Block Copolymers for Redox-Responsive Release." ACS Nano, vol. 6, no. 10, 2012, pp. 9042–9049.Karnik R., Gu F., Basto P., Cannizzaro C. et al. Microfluidic platform for controlled synthesis of polymeric nanoparticles // Nano Letters. 2008. V. 8. № 9. P. 2906–2912.Karnik, R., et al. "Microfluidic Platform for Controlled Synthesis of Polymeric Nanoparticles." Nano Letters, vol. 8, no. 9, 2008, pp. 2906–2912.Chen Z., Kheiri S., Young E.W., Kumacheva E. Trends in droplet microfluidics: from droplet generation to biomedical applications // Langmuir. 2022. V. 38. № 20. P. 6233–6248.Chen, Z., et al. "Trends in Droplet Microfluidics: From Droplet Generation to Biomedical Applications." Langmuir, vol. 38, no. 20, 2022, pp. 6233–6248.Seeto W.J., Tian Y., Pradhan S., Minond D. et al. Droplet Microfluidics-Based Fabrication of Monodisperse Poly(Ethylene Glycol)–Fibrinogen Breast Cancer Microspheres for Automated Drug Screening Applications // ACS Biomaterials Science & Engineering. 2022. V. 8. № 9. P. 3831–3841.Seeto, W.J., et al. "Droplet Microfluidics-Based Fabrication of Monodisperse Poly(Ethylene Glycol)–Fibrinogen Breast Cancer Microspheres for Automated Drug Screening Applications." ACS Biomaterials Science & Engineering, vol. 8, no. 9, 2022, pp. 3831–3841.Olenskyj A.G., Feng Y., Lee Y. Continuous microfluidic production of zein nanoparticles and correlation of particle size with physical parameters determined using CFD simulation // Journal of Food Engineering. 2017. V. 211. P. 50–59.Olenskyj, A.G., et al. "Continuous Microfluidic Production of Zein Nanoparticles and Correlation of Particle Size with Physical Parameters Determined Using CFD Simulation." Journal of Food Engineering, vol. 211, 2017, pp. 50–59.Bhatti M.M., Marin M., Zeeshan A., Abdelsalam S.I. Recent trends in computational fluid dynamics // Frontiers in Physics. 2020. V. 8. Art. 593111.Bhatti, M.M., et al. "Recent Trends in Computational Fluid Dynamics." Frontiers in Physics, vol. 8, 2020, art. 593111.Einarsrud K.E. et al. Applied Computational Fluid Dynamics (CFD) // Processes. 2023. V. 11. № 2. P. 461.Einarsrud, K.E., et al. "Applied Computational Fluid Dynamics (CFD)." Processes, vol. 11, no. 2, 2023, p. 461.Merkulova M.A. et al. Easy size control of polymer nanoparticles obtained by emulsification–evaporation technique in a microfluidic reactor // Mendeleev Communications. 2021. V. 31. № 6. P. 899–901.Merkulova, M.A., et al. "Easy Size Control of Polymer Nanoparticles Obtained by Emulsification–Evaporation Technique in a Microfluidic Reactor." Mendeleev Communications, vol. 31, no. 6, 2021, pp. 899–901.Ekanem E.E. et al. Structured biodegradable polymeric microparticles for drug delivery produced using flow focusing glass microfluidic devices // ACS Applied Materials & Interfaces. 2015. V. 7. № 41. P. 23132–23143.Ekanem, E.E., et al. "Structured Biodegradable Polymeric Microparticles for Drug Delivery Produced Using Flow Focusing Glass Microfluidic Devices." ACS Applied Materials & Interfaces, vol. 7, no. 41, 2015, pp. 23132–23143.Staff R.H., Schaeffel D., Turshatov A., Donadio D. et al. Particle Formation in the Emulsion-Solvent Evaporation Process // Small. 2013. V. 9. № 20. P. 3514–3522.Staff, R.H., et al. "Particle Formation in the Emulsion-Solvent Evaporation Process." Small, vol. 9, no. 20, 2013, pp. 3514–3522.Desgouilles S., Vauthier C., Bazile D., Vacus J. et al. The design of nanoparticles obtained by solvent evaporation: a comprehensive study // Langmuir. 2003. V. 19. № 22. P. 9504–9510.Desgouilles, S., et al. "The Design of Nanoparticles Obtained by Solvent Evaporation: A Comprehensive Study." Langmuir, vol. 19, no. 22, 2003, pp. 9504–9510

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