Publication de 4 numéros par an
ISSN Imprimer: 2572-4258
ISSN En ligne: 2572-4266
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DIFFUSION MODEL OF DRUG NANOPORE FILLING
RÉSUMÉ
Processes in porous media are important for various applications, including biophysics and medicine. The characteristic features of the processes on macro- and mesoscale levels are connected with the fact that the transfer processes in small pores are influenced by physical phenomena which are insignificant for ordinary materials. In this paper, a diffusion model for filling small pores with a drug is proposed, taking into account the dependence of the diffusion coefficient on the coordinate. As a result of numerical study, differences in the distributions of concentration for different variants of such dependence have been established. It was shown that the type of the isotherm (Henry's, Freundlich's, and Langmuir's) can lead to quantitative changes in the concentration distributions in the pore, but no qualitative changes were found. It is shown that for any variant there is a deceleration in the process of pore filling with the drug, and there is an incomplete filling due to both adsorption and diffusion. As the pore size decreases, the limiting pore filling also decreases.
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Alipour, P., Toghraie D., Karimipour, A., and Hajian, M., Molecular Dynamics Simulation of Fluid Flow Passing through a Nanochannel: Effects of Geometric Shape of Roughnesses, J. Mol. Liq., vol. 275, pp. 192-203, 2019.
-
Ayawei, N., Ebelegi, A.N., and Wankasi, D., Modeling and Interpretation of Adsorption Isotherms, Hindawi J. Chem., Article ID 3039817, 2017. DOI: 10.1155/2017/30398172017.
-
Balannec, B., Ghoufi, A., and Szymczyk, A., Nanofiltration Performance of Conical and Hourglass Nanopores, J. Membrane Sci., vol. 552, pp. 336-340, 2018.
-
Bocquet L. and Charlaix E., Nanofluidics, from Bulk to Interfaces, Chem. Soc. Rev., vol. 39, pp. 1073-1095, 2010.
-
Cao, B-Y., Yang, M., and Hu, G.-J., Capillary Filling Dynamics of Polymer Melts in Nanopores: Experiments and Rheological Modeling, RSC Adv., vol. 6, pp. 7553-7559, 2016.
-
Daiguji, H., Ion Transport in Nanofluidic Channels, Chem. Soc. Rev., vol. 39, pp. 901-911, 2010.
-
Farasat, R., Yancey, B., and Vyazovkin, S., Loading Salts from Solutions into Nanopores: Model and Its Test, Chem. Phys. Lett, vol. 558, pp. 72-76, 2013.
-
Huang, T., Cao, L., Yuan, C., and Chen, P., A Novel Numerical Model of Gas Transport in Multiscale Shale Gas Reservoirs with Considering Surface Diffusion and Langmuir Slip Conditions, Energy Sci. Eng., vol. 7, pp. 1315-1332, 2019.
-
Jain, K.K., Drug Delivery Systems-An Overview, Drug Del. Syst, pp. 1-50, 2008.
-
Keil, J.F., Complexities in Modeling of Heterogeneous Catalytic Reactions, Comput. Math. Appl., vol. 65, pp. 1674-1697, 2013.
-
Knyazeva, A. and Chumakov, Yu., Coupling Model of Filtration with Concentration Expansion and Pressure Diffusion, AIP Conf Proc, vol. 2051, 020125, 2018. DOI. 10.1063/1.5083368.
-
Knyazeva, A.G., Pressure Diffusion and Chemical Viscosity in the Filtration Models with State Equation in Differential Form, IOP Conf. Series: J. Phys.: Conf. Series, vol. 1128, 012036, 2018. DOI. 10.1088/1742-6596/1128/1/012036.
-
Malek, A. and Farooq, S., Comparison of Isotherm Models for Hydrocarbon Adsorption on Activated Carbon, AIChE J, vol. 42, no. 11, pp. 3191-3201, 1996.
-
Movahed, S. and Li, D., Electrokinetic Transport through Nanochannels, Electrophoresis, vol. 32, no. 11, pp. 1259-1267, 2011.
-
Nooranidoost, M., Haghshenas, M., Muradoglu, M., and Kumar, R., Cell Encapsulation Modes in a Flow-Focusing Microchannel. Effects of Shell Fluid Viscosity, Microfluidics Nanofluidics, vol. 23, pp. 31-42, 2019.
-
Pati, S., Som, S.K., and Chakraborty, S., Combined Influences of Electrostatic Component of Disjoining Pressure and Interfacial Slip on Thin Film Evaporation in Nanopores, Int. J. Heat Mass Transf, vol. 64, pp. 304-312, 2013.
-
Quirke, N., Ed., Adsorption and Transport at the Nanoscale, New York. Taylor & Francis Group, LLC, 2006.
-
Ramirez, P., Mafe, S., Aguilella, V.M., and Alcaraz, A., Synthetic Nanopores with Fixed Charges. An Electrodiffusion Model for Ionic Transport, Phys. Rev. E, vol. 68, 011910, 2003.
-
Reddy, P.D. and Swarnalatha, D., Recent Advances in Novel Drug Delivery Systems, Int. J. PharmTech Res., vol. 2., no. 3, pp. 2025-2027, 2010.
-
Reuge, N., Moissette, S., Bart, M., Collet, F., and Lanos, C., Water Transport in Bio-based Porous Materials. A Model of Local Kinetics of Sorption-Application to Three Hemp Concretes, Transp. Porous Media, vol. 128, pp. 821-836, 2019.
-
Roy, S. and Raju, R., Modeling Gas Flow through Microchannels and Nanopores, J. Appl. Phys., vol. 93, pp. 4870-4879, 2003.
-
Ryzhkov, I.I., Vyatkin, A.S., and Minakov, A.V., Theoretical Study of Electrolyte Diffusion through Polarizable Nanopores, J. Siberian Fed. Univ.: Math. Phys., vol. 11, no. 4, pp. 494-504, 2018.
-
Siepmann, J. and Siepmanna, F., Mathematical Modeling of Drug Dissolution, Int. J. Pharmaceut., vol. 453, pp. 12-24, 2013.
-
Szymczyk, A., Sbai, M., Fievet, P., and Vidonne, A., Transport Properties and Electrokinetic Characterization of an Amphoteric Nanofilter, Langmuir, vol. 22, pp. 3910-3919, 2006.
-
Tagliazucchi, M. and Szleifer, I., Transport Mechanisms in Nanopores and Nanochannels. Can We Mimic Nature, Mater. Today, vol. 18, no. 3, pp. 131-142, 2015.
-
Tzur-Balter, A., Young, J.M., Bonanno-Young, L.M., and Segal, E., Mathematical Modeling of Drug Release from Nano structured Porous Si. Combining Carrier Erosion and Hindered Drug Diffusion for Predicting Release Kinetics, Acta Biomaterialia, vol. 9, pp. 8346-8353, 2013.
-
van Honschoten, J.W., Brunets, N., and Tas, N.R., Capillarity at the Nanoscale, Chem. Soc. Rev., vol. 39, pp. 1096-1114, 2010.
-
Wang, D.-K., Liub, S.-M., Wei, J.-P., Wang, H.-L., and Yao, B.-H., A Research Study of the Intra-Nanopore Methane Flow Law, Int. J. Hydrogen Energy, vol. 42, pp. 18607-18613, 2017.
-
Wongkoblap, A., Junpirom, S., and Do, D.D., Adsorption of Lennard-Jones Fluids in Carbon Slit Pores of a Finite Length. A Computer Simulation Study, Adsorption Sci. Technol., vol. 23, no. 1, pp. 1-18, 2005.
-
Yablonskii, G., Bykov, V., Gorban', A., and Elokhin, V., Kinetic Models of Catalytic Reactions, Amsterdam, Netherlands: Elsevier, 1991.
-
Yao, Y., Butt, H.-J., Floudas, G., Zhou, J., and Doi, M., Theory on Capillary Filling of Polymer Melts in Nanopores, Macromol. Rapid Commun., vol. 39, 1800087, 2018.
-
Yu, Q., Lian, C., Lu, B., and Wu, J., Modeling Selective Ion Adsorption into Cylindrical Nanopores, Chem. Phys. Lett., vol. 709, pp. 116-124, 2018.
-
Zhang, L. and Wang, M., Modeling of Electrokinetic Reactive Transport in Micropore Using a Coupled Lattice Boltzmann Method, J. Geophys. Res. Solid Earth, vol. 120, pp. 2877-2890. 2015.
-
Zhao, J., Kang, Q., Yao, J., Zhang, L., Li, Z., Yang, Y., and Sun, H., Lattice Boltzmann Simulation of Liquid Flow in Nanoporous Media, Int. J. Heat Mass Transf., vol. 125, pp. 1131-1143, 2018.