Review: Description of Porous Media and their Sorption Characteristics as Correlated Structures

Authors

DOI:

https://doi.org/10.29356/jmcs.v68i4.2269

Keywords:

Adsorption isotherms, Physicochemical of Surfaces Academic Area, Porous media

Abstract

This review presents an in-depth analysis of the progress and achievements in the study of porous structures by the Physicochemical of Surfaces Academic Area at the Universidad Autónoma Metropolitana, Iztapalapa's Chemistry Department. A straightforward model for depicting disordered structures has been introduced here, facilitating the discovery of correlations between adjacent elements within these structures. Such correlations have proven to be crucial in the classification and analysis of different disordered porous materials and have been instrumental in the interpretation and categorization of nitrogen adsorption isotherms.

 

Resumen. Este artículo proporciona una revisión completa de los avances y aportes realizados en la caracterización de estructuras porosas dentro del Área Académica de Fisicoquímica de Superficies del Departamento de Química de la Universidad Autónoma Metropolitana, Iztapalapa. Dentro de esta Área Académica se ha desarrollado un modelo simple para describir estructuras desordenadas, que permitió visualizar la correlación entre elementos vecinos que constituyen dichas estructuras. Estas correlaciones han resultado en un factor clave para clasificar y categorizar diversos medios porosos desordenados, además de servir como herramientas útiles para interpretar y clasificar las isotermas de adsorción del nitrógeno.

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Author Biographies

Salomón Cordero-Sánchez, Universidad Autónoma Metropolitana - Unidad Iztapalapa

Departamento de Química

Juan M. Esparza-Schulz, Universidad Autónoma Metropolitana-Iztapalapa

Departamento de Química

Ilich A. Ibarra, Universidad Nacional Autónoma de México

Laboratorio de Fisicoquímica y Reactividad de Superficies (LaFReS), Instituto de Investigaciones en Materiales

Víctor M. Trejos, Universidad Autónoma Metropolitana-Iztapalapa

Departamento de Química

Annabel L. Tellez-Gonzalez, Universidad Autónoma Metropolitana-Iztapalapa

Departamento de Química

Juan Villegas-Cortez, Universidad Autónoma Metropolitana

Departmento de Sistemas

Graciela Román-Alonso, Universidad Autónoma Metropolitana-Iztapalapa

Departamento de Ingeniería Eléctrica

Salomón J. Alas, Universidad Autónoma Metropolitana Unidad Cuajimalpa

Departamento de Ciencias Naturales

References

Tovbin, Yu. K. The Molecular Theory of Adsorption in Porous Solids, 1st ed.; CRC Press, 2017. DOI: https://doi.org/10.1201/9781315116297. DOI: https://doi.org/10.1201/9781315116297-1

Ghanbari, T.; Abnisa, F.; Wan Daud, W. M. A. A Review on Production of Metal Organic Frameworks (MOF) for CO2 Adsorption. Science of The Total Environment 2020, 707, 135090. DOI: https://doi.org/10.1016/j.scitotenv.2019.135090. DOI: https://doi.org/10.1016/j.scitotenv.2019.135090

Verma, P.; Kuwahara, Y.; Mori, K.; Raja, R.; Yamashita, H. Functionalized Mesoporous SBA-15 Silica: Recent Trends and Catalytic Applications. Nanoscale 2020, 12, 11333–11363. DOI: https://doi.org/10.1039/D0NR00732C. DOI: https://doi.org/10.1039/D0NR00732C

Characterization of Porous Solids and Powders: Surface Area, Pore Size and Density, [4. ed.], 1. repr. with some corr.; Lowell, S., Ed.; Particle technology series; Springer: Dordrecht, 2010.

Brunauer, S.; Emmett, P. H.; Teller, E. Adsorption of Gases in Multimolecular Layers. J. Am. Chem. Soc. 1938, 60, 309–319. DOI: https://doi.org/10.1021/ja01269a023. DOI: https://doi.org/10.1021/ja01269a023

Naderi, M. Chapter Fourteen - Surface Area: Brunauer–Emmett–Teller (BET). In Progress in Filtration and Separation; Tarleton, S., Ed.; Academic Press: Oxford, 2015; pp 585–608. DOI: https://doi.org/10.1016/B978-0-12-384746-1.00014-8. DOI: https://doi.org/10.1016/B978-0-12-384746-1.00014-8

Wu, J.; Li, Z. Density-Functional Theory for Complex Fluids. Annu. Rev. Phys. Chem. 2007, 58, 85–112. DOI: https://doi.org/10.1146/annurev.physchem.58.032806.104650. DOI: https://doi.org/10.1146/annurev.physchem.58.032806.104650

Wu, J. Density Functional Theory for Chemical Engineering: From Capillarity to Soft Materials. AIChE Journal 2006, 52, 1169–1193. DOI: https://doi.org/10.1002/aic.10713. DOI: https://doi.org/10.1002/aic.10713

Makkar, P.; Ghosh, N. N. A Review on the Use of DFT for the Prediction of the Properties of Nanomaterials. RSC Adv. 2021, 11, 27897– 27924. DOI: https://doi.org/10.1039/D1RA04876G. DOI: https://doi.org/10.1039/D1RA04876G

Gubbins, K. E.; Sliwinska-Bartkowiak, M.; Suh, S.-H. Molecular Simulations of Phase Transitions in Pores. Molecular Simulation 1996, 17, 333– 367. DOI: https://doi.org/10.1080/08927029608024116. DOI: https://doi.org/10.1080/08927029608024116

Segura, C. J.; Vakarin, E. V.; Chapman, W. G.; Holovko, M. F. A Comparison of Density Functional and Integral Equation Theories vs Monte Carlo Simulations for Hard Sphere Associating Fluids near a Hard Wall. The Journal of Chemical Physics 1998, 108, 4837–4848. DOI: https://doi.org/10.1063/1.475893. DOI: https://doi.org/10.1063/1.475893

Zaragoza, A.; Gonzalez, M. A.; Joly, L.; López Montero, I.; Canales, M. A.; Benavides, A. L.; Valeriani, C. Molecular Dynamics Study of Nanoconfined TIP4P/2005 Water: How Confinement and Temperature Affect Diffusion and Viscosity. Phys. Chem. Chem. Phys. 2019, 21, 13653–13667. DOI: https://doi.org/10.1039/C9CP02485A. DOI: https://doi.org/10.1039/C9CP02485A

Yuan, Z.; He, G.; Li, S. X.; Misra, R. P.; Strano, M. S.; Blankschtein, D. Gas Separations Using Nanoporous Atomically Thin Membranes: Recent Theoretical, Simulation, and Experimental Advances. Advanced Materials 2022, 34, 2201472. DOI: https://doi.org/10.1002/adma.202201472. DOI: https://doi.org/10.1002/adma.202201472

Yuan, Z.; Govind Rajan, A.; He, G.; Misra, R. P.; Strano, M. S.; Blankschtein, D. Predicting Gas Separation through Graphene Nanopore Ensembles with Realistic Pore Size Distributions. ACS Nano 2021, 15, 1727–1740. DOI: https://doi.org/10.1021/acsnano.0c09420. DOI: https://doi.org/10.1021/acsnano.0c09420

Wang, Y.; Fan, Z.; Qian, P.; Ala-Nissila, T.; Caro, M. A. Structure and Pore Size Distribution in Nanoporous Carbon. Chem. Mater. 2022, 34, 617–628. DOI: https://doi.org/10.1021/acs.chemmater.1c03279. DOI: https://doi.org/10.1021/acs.chemmater.1c03279

Iftimie, R.; Minary, P.; Tuckerman, M. E. Ab Initio Molecular Dynamics: Concepts, Recent Developments, and Future Trends. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 6654–6659. DOI: https://doi.org/10.1073/pnas.0500193102. DOI: https://doi.org/10.1073/pnas.0500193102

Barrett, E. P.; Joyner, L. G.; Halenda, P. P. The Determination of Pore Volume and Area Distributions in Porous Substances. I. Computations from Nitrogen Isotherms. J. Am. Chem. Soc. 1951, 73, 373–380. DOI: https://doi.org/10.1021/ja01145a126. DOI: https://doi.org/10.1021/ja01145a126

Broekhoff, J. Studies on Pore Systems in Catalysts IX. Calculation of Pore Distributions from the Adsorption Branch of Nitrogen Sorption Isotherms in the Case of Open Cylindrical Pores A. Fundamental Equations. Journal of Catalysis 1967, 9, 8–14. DOI: https://doi.org/10.1016/0021-9517(67)90174-1. DOI: https://doi.org/10.1016/0021-9517(67)90174-1

Everett, D. H.; Haynes, J. M. Model Studies of Capillary Condensation. I. Cylindrical Pore Model with Zero Contact Angle. Journal of Colloid and Interface Science 1972, 38, 125–137. DOI: https://doi.org/10.1016/0021-9797(72)90228-7. DOI: https://doi.org/10.1016/0021-9797(72)90228-7

Feng, Q.; Xing, X.; Wang, S.; Liu, G.; Qin, Y.; Zhang, J. CO2 Diffusion in Shale Oil Based on Molecular Simulation and Pore Network Model. Fuel 2024, 359, 130332. DOI: https://doi.org/10.1016/j.fuel.2023.130332. DOI: https://doi.org/10.1016/j.fuel.2023.130332

García-Salaberri, P. A.; Zenyuk, I. V. A General Purpose Tool for Modeling Multifunctional Thin Porous Media (POREnet): From Pore Network to Effective Property Tensors. Heliyon 2024, 10, e26253. DOI: https://doi.org/10.1016/j.heliyon.2024.e26253. DOI: https://doi.org/10.1016/j.heliyon.2024.e26253

Söllner, J.; Neimark, A.; Thommes, M. Development and Application of an Advanced Percolation Model for Pore Network Characterization by Physical Adsorption. July 23, 2024. DOI: https://doi.org/10.26434/chemrxiv-2024-h9zlm-v3. DOI: https://doi.org/10.26434/chemrxiv-2024-h9zlm-v2

A Model of Adsorption-Desorption Hysteresis in Which Hysteresis Is Primarily Developed by the Interconnections in a Network of Pores. Proc. R. Soc. Lond. A 1983, 390, 47–72. DOI: https://doi.org/10.1098/rspa.1983.0122. DOI: https://doi.org/10.1098/rspa.1983.0122

Determination of the Pore-Size Distributions and Pore-Space Interconnectivity of Vycor Porous Glass from Adsorption-Desorption Hysteresis Capillary Condensation Isotherms. Proc. R. Soc. Lond. A 1988, 415, 453–486. DOI: https://doi.org/10.1098/rspa.1988.0023. DOI: https://doi.org/10.1098/rspa.1988.0023

Neimark, A. V. Percolation Theory of Capillary Hysteresis Phenomena and Its Application for Characterization of Porous Solids. In Studies in Surface Science and Catalysis; Elsevier, 1991; Vol. 62, pp 67–74. DOI: https://doi.org/10.1016/S0167-2991(08)61310-5. DOI: https://doi.org/10.1016/S0167-2991(08)61310-5

Seaton, N. A. Determination of the Connectivity of Porous Solids from Nitrogen Sorption Measurements. Chemical Engineering Science 1991, 46, 1895–1909. DOI: https://doi.org/10.1016/0009-2509(91)80151-N. DOI: https://doi.org/10.1016/0009-2509(91)80151-N

Mayagoitia, V.; Javier Cruz, M.; Rojas, F. Mechanistic Studies of Capillary Processes in Porous Media. Part 1.—Probabilistic Description of Porous Media. J. Chem. Soc., Faraday Trans. 1 1989, 85, 2071. DOI: https://doi.org/10.1039/f19898502071. DOI: https://doi.org/10.1039/f19898502071

Mayagoitia, V.; Rojas, F.; Kornhauser, I.; Pérez Aguilar, H. Modeling of Porous Media and Surface Structures: Their True Essence as Networks. Langmuir 1997, 13, 1327–1331. DOI: https://doi.org/10.1021/la950812m. DOI: https://doi.org/10.1021/la950812m

Riccardo, J. L.; Steele, W. A.; Cuesta, A. J. R.; Zgrablich, G. Pure Monte Carlo Simulation of Model Heterogeneous Substrates: From Random Surfaces to Many-Site Correlations. Langmuir 1997, 13, 1064–1072. DOI: https://doi.org/10.1021/la9510036. DOI: https://doi.org/10.1021/la9510036

Román-Alonso, G.; Rojas-González, F.; Aguilar Cornejo, M.; Cordero-Sánchez, S.; Castro-García, M. A. In-Silico Simulation of Porous Media: Conception and Development of a Greedy Algorithm. Microporous and Mesoporous Materials 2011, 137, 18–31. DOI: https://doi.org/10.1016/j.micromeso.2010.08.016. DOI: https://doi.org/10.1016/j.micromeso.2010.08.016

Riccardo, J. L.; Pereyra, V.; Zgrablich, G.; Rojas, F.; Mayagoitia, V.; Kornhauser, I. Characterization of Energetic Surface Heterogeneity by a Dual Site-Bond Model. Langmuir 1993, 9, 2730–2736. DOI: https://doi.org/10.1021/la00034a037. DOI: https://doi.org/10.1021/la00034a037

Metropolis, N.; Rosenbluth, A. W.; Rosenbluth, M. N.; Teller, A. H.; Teller, E. Equation of State Calculations by Fast Computing Machines. The Journal of Chemical Physics 1953, 21, 1087– 1092. https://doi.org/10.1063/1.1699114. DOI: https://doi.org/10.1063/1.1699114

Bhanot, G. The Metropolis Algorithm. Rep. Prog. Phys. 1988, 51, 429–457. DOI: https://doi.org/10.1088/0034-4885/51/3/003. DOI: https://doi.org/10.1088/0034-4885/51/3/003

Cordero Sánchez, S. Simulación de redes porosas por métodos de Monte Carlo. Maestría en Ciencias, Universidad Autónoma Metropolitana, 1998, p ht24wj79w. DOI: https://doi.org/10.24275/uami.ht24wj79w. DOI: https://doi.org/10.24275/uami.ht24wj79w

Sapag, K.; Bulnes, F.; Rizzotto, M.; Riccardo, J. L.; Zgrablich, G. On the Topology of Correlated Energies on Heterogeneous Surfaces. J. Phys.: Condens. Matter 1993, 5, A241–A242. https://doi.org/10.1088/0953-8984/5/33A/080. DOI: https://doi.org/10.1088/0953-8984/5/33A/080

Cruz, O.; Hidalgo, R.; Alas, S.; Cordero, S.; Meraz, L.; Lopez, R.; Dominguez, A. Is the Alexander–Orbach Conjecture Suitable for Treating Diffusion in Correlated Percolation Clusters? Adsorption Science & Technology 2011, 29, 663–676. DOI: https://doi.org/10.1260/0263-6174.29.7.663. DOI: https://doi.org/10.1260/0263-6174.29.7.663

Tellez González, A. L. Estudio fractal de la reacción de oxidación de CO en Pt(100) por Monte Carlo. Maestría en Ciencias, Universidad Autónoma Metropolitana, Mexico City, 2022.

Cordero-Sánchez, S.; Rojas-González, F.; Román-Alonso, G.; Castro-García, M. A.; Aguilar Cornejo, M.; Matadamas-Hernández, J. Pore Networks Subjected to Variable Connectivity and Geometrical Restrictions: A Simulation Employing a Multicore System. Journal of Computational Science 2016, 16, 177–189. DOI: https://doi.org/10.1016/j.jocs.2016.06.003. DOI: https://doi.org/10.1016/j.jocs.2016.06.003

Paterson, L. Radial Fingering in a Hele Shaw Cell. J. Fluid Mech. 1981, 113, 513. https://doi.org/10.1017/S0022112081003613. DOI: https://doi.org/10.1017/S0022112081003613

Mayagoitia, V.; Rojas, F.; Kornhauser, I.; Zgrablich, G.; Faccio, R. J.; Gilot, B.; Guiglion, C. Refinements of the Twofold Description of Porous Media. Langmuir 1996, 12, 211–216. DOI: https://doi.org/10.1021/la940704k. DOI: https://doi.org/10.1021/la940704k

Ramirez-Cuesta, A. J.; Cordero, S.; Rojas, F.; Faccio, R. J.; Riccardo, J. L. On Modeling, Simulation and Statistical Properties of Realistic Three Dimensional Porous Networks. Journal of Porous Materials 2001, 8, 61–76. DOI: https://doi.org/10.1023/A:1026526502692. DOI: https://doi.org/10.1023/A:1026526502692

Cordero, S.; Rojas, F.; Riccardo, J. L. Simulation of Three-Dimensional Porous Networks. Colloids and Surfaces A: Physicochemical and Engineering Aspects 2001, 187–188, 425–438. https://doi.org/10.1016/S0927-7757(01)00610-0. DOI: https://doi.org/10.1016/S0927-7757(01)00610-0

Gonzalez Mendez, A.; Roman Alonso, G.; Rojas Gonzalez, F.; Castro Garcia, M. A.; Aguilar Cornejo, M.; Cordero Sanchez, S. Construction of Porous Networks Subjected to Geometric Restrictions by Using OpenMP. In 2014 IEEE International Parallel & Distributed Processing Symposium Workshops; IEEE: Phoenix, AZ, 2014; pp 1189–1197. DOI: https://doi.org/10.1109/IPDPSW.2014.134. DOI: https://doi.org/10.1109/IPDPSW.2014.134

Matadamas, J.; Roman, G.; Rojas, F.; Castro, M.; Cordero, S.; Aguilar, M. Pore Network Simulation via Monte Carlo Algorithms on GPUs. IEEE Latin Am. Trans. 2014, 12, 491–498. https://doi.org/10.1109/TLA.2014.6827878. DOI: https://doi.org/10.1109/TLA.2014.6827878

Matadamas-Hernández, J.; Román-Alonso, G.; Rojas-González, F.; Castro-García, M. A.; Boukerche, A.; Aguilar-Cornejo, M.; Cordero Sánchez, S. Parallel Simulation of Pore Networks Using Multicore CPUs. IEEE Trans. Comput. 2014, 63, 1513–1525. DOI: https://doi.org/10.1109/TC.2012.197. DOI: https://doi.org/10.1109/TC.2012.197

Halsey, G. Physical Adsorption on Non-Uniform Surfaces. The Journal of Chemical Physics 1948, 16, 931–937. DOI: https://doi.org/10.1063/1.1746689. DOI: https://doi.org/10.1063/1.1746689

Casanova, F.; Chiang, C. E.; Li, C.-P.; Schuller, I. K. Direct Observation of Cooperative Effects in Capillary Condensation: The Hysteretic Origin. Applied Physics Letters 2007, 91, 243103. https://doi.org/10.1063/1.2822815. DOI: https://doi.org/10.1063/1.2822815

48. Sing, K. S. W. Reporting Physisorption Data for Gas/Solid Systems with Special Reference to the Determination of Surface Area and Porosity (Recommendations 1984). Pure and Applied Chemistry 1985, 57, 603–619. DOI: https://doi.org/10.1351/pac198557040603. DOI: https://doi.org/10.1351/pac198557040603

Gregg, S. J.; Sing, K. S. W.; Salzberg, H. W. Adsorption Surface Area and Porosity. J. Electrochem. Soc. 1967, 114, 279C. DOI: https://doi.org/10.1149/1.2426447. DOI: https://doi.org/10.1149/1.2426447

Morishige, K. Hysteresis Critical Point of Nitrogen in Porous Glass: Occurrence of Sample Spanning Transition in Capillary Condensation. Langmuir 2009, 25, 6221–6226. DOI: https://doi.org/10.1021/la900022s. DOI: https://doi.org/10.1021/la900022s

Libby, B.; Monson, P. A. Adsorption/Desorption Hysteresis in Inkbottle Pores: A Density Functional Theory and Monte Carlo Simulation Study. Langmuir 2004, 20, 4289–4294. DOI: https://doi.org/10.1021/la036100a. DOI: https://doi.org/10.1021/la036100a

Ravikovitch, P. I.; Neimark, A. V. Density Functional Theory of Adsorption in Spherical Cavities and Pore Size Characterization of Templated Nanoporous Silicas with Cubic and Three-Dimensional Hexagonal Structures. Langmuir 2002, 18, 1550–1560. DOI: https://doi.org/10.1021/la0107594. DOI: https://doi.org/10.1021/la0107594

Rojas, F.; Kornhauser, I.; Felipe, C.; Esparza, J. M.; Cordero, S.; Domínguez, A.; Riccardo, J. L. Capillary Condensation in Heterogeneous Mesoporous Networks Consisting of Variable Connectivity and Pore-Size Correlation. Phys. Chem. Chem. Phys. 2002, 4, 2346–2355. https://doi.org/10.1039/b108785a. DOI: https://doi.org/10.1039/b108785a

Stauffer, D.; Aharony, A. Introduction To Percolation Theory, 0 ed.; Taylor & Francis, 2018. https://doi.org/10.1201/9781315274386. DOI: https://doi.org/10.1201/9781315274386

55. Hidalgo-Olguín, D. R.; Cruz-Vázquez, R. O.; Alas-Guardado, S. J.; Domínguez-Ortiz, A. Lacunarity of Classical Site Percolation Spanning Clusters Built on Correlated Square Lattices. Transp Porous Med 2015, 107, 717–729. DOI: https://doi.org/10.1007/s11242-015-0463-3. DOI: https://doi.org/10.1007/s11242-015-0463-3

Everett, D. H. A General Approach to Hysteresis. Part 3.—A Formal Treatment of the Independent Domain Model of Hysteresis. Trans. Faraday Soc. 1954, 50, 1077–1096. DOI: https://doi.org/10.1039/tf9545001077. DOI: https://doi.org/10.1039/TF9545001077

Esparza, J. M.; Ojeda, M. L.; Campero, A.; Domı́nguez, A.; Kornhauser, I.; Rojas, F.; Vidales, A. M.; López, R. H.; Zgrablich, G. N2 Sorption Scanning Behavior of SBA-15 Porous Substrates.

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