Termodinámica y estructura microscópica de fluidos complejos, homogéneos y no homogéneos.
Propiedades termodinámicas y estructurales de disoluciones de electrolitos en fase homogénea y bajo confinamiento en nanoporos.
Adsorción de fluidos complejos en poros y en medios nanoporosos desordenados; transiciones de fase en fluidos complejos.
Métodos de investigación: ecuaciones integrales de la teoría de fluidos; funcionales de la densidad, modelación y simulación computacional.
PROYECTOS DE INVESTIGACIÓN CON BECAS Y DISPONIBILIDAD PARA ASESOR DE TESIS DE DOCTORADO Y MAESTRÍA
Estructura y termodinámica de fluidos y reacciones químicas en poros.
Efectos de sustrato sobre la formación de medios microporosos y adsorción de fluidos complejos.
Disoluciones electrolíticas en medios porosos desordenados.
Estructura y termodinámica de polielectrolitos.
Investigador Emérito del Sistema Nacional de Investigadores.
Bautista, D.B.; Aguilar, M.; Pizio, O.* Molecular dynamics simulations of water-ethanol mixtures. I. Composition trends in thermodynamic properties. Condens. Matter Phys. 2024, 27(2), 23201. https://doi.org/10.5488/CMP.27.23201.
Kozina, A.; Aguilar, M.; Pizio, O.; Sokołowski, S. Revisiting the wetting behavior of solid surfaces by water-like models within a density functional theory. Condens. Matter Phys. 2024, 27(1), 13604-13618. https://doi.org/10.5488/CMP.27.13604.
Pizio, O.; Trokhymchuk, A.; Patsahan, T.; Di Caprio, D.; Yamaguchi, T. Molecular liquids and ionic solutions: From statistical mechanics modeling to experimental observations. J. Mol. Liq. 2024, 395, 123857. https://doi.org/10.1016/j.molliq.2023.123857.
O. Pizio, S. Sokołowski. Density functional approach to wetting behavior of water on solid surfaces modified by grafting of chains and their mixtures, Journal of Molecular Liquids 390, 123009 (2023).
Sokolowski, O. Pizio. Effects of fluid–solid interaction strength on wetting of graphite-like substrates by water: density functional theory. Molecular Physics, vol. 120, e2011454 (2022).
O. Pizio, S. Sokolowski. A novel prewetting behavior of water adsorbed on solid surfaces modified with tethered chains resulting from a density functional theory. Journal of Molecular Liquids, 357, 119111 (2022).
V.M. Trejos, S. Sokolowski, O Pizio. On the solvation force of water-like fluid models with square-well attraction and site–site association in slit-like pores: density functional approach. Molecular Physics, vol. 118, 1615647 (2020).
Trejos, V.M.*; Sokołowski, S.; Pizio, O. On the phase beha- vior of model fluids with square-well attraction in slit-like pores. Density functional approach. Fluid Phase Equilib. 2019, 483, 92-100. http://doi.org/10.1016/j.fluid.2018.11.005
Sokołowski, S.*; Pizio, O. Density functional theory for the mi- croscopic structure of nanoparticles at the liquid-liquid interface. Phys. Chem. Chem. Phys. 2019, 21, 3073-3082. http://doi.org/10.1039/c8cp07449f
Cruz Sánchez, M.; Domínguez, H; Pizio, O* Molecular dyna- mics simulations of the properties of water-methanol mixtu-res. Effects of force fields. Condens. Matter Phys. 2019, 22, 13602. http://doi.org/10.5488/CMP.22.13602.
Trejos, V.M.*; Pizio, O.; Sokolowski, S. Towards the descrip- tion of adsorption of water in slit-like pores with walls covered by molecular brushes. J. Chem. Phys. 2018, 149, 234703. http://doi.org/10.1063/1.5066552
Borówko, M.; Rzysko, W.; Sokolowski, S.*, Pizio, O. Molecular dynamics and density functional study of the structure of hairy particles at a hard wall. J. Mol. Liq. 2018, 270, 191-203.http://doi.org/10.1016/j.molliq.2017.11.146
Cruz Sánchez, M.; Gujt, J; Sokolowski, S; Pizio, O* Effects of ion concentration and solvent composition on the properties of water-methanol solutions of NaCl. NPT molecular dynamics computer simulation results. Condens. Matter Phys. 2018, 21, Art. No. 23601. DOI: 10.5488/CMP.21.23601 [1.095]
Gujt, J.; Dominguez, H.; Sokolowski, S., Pizio, O.* Isobaric-isothermal molecular dynamics computer simulations of the properties of water-1,2-dimethoxyethane model mixtures. Condens. Matter Phys. 2017, 20, 33603. http://dx.doi.org/10.5488/CMP.20.33603.
Borówko, M.; Ilnytskyi, J. I.; Pizio, O. Exploring fluid-solid interfaces with Stefan Sokołowski. Condens. Matter Phys. 2016, 19, 10101.
Galicia-Andrés, E.; Domínguez, H.; Pusztai, L.; Pizio, O. Composition dependence of thermodynamic, dynamic and dielectric properties of water–methanol model mixtures. Molecular dynamics simulation results with the OPLS-AA model for methanol. J. Mol. Liq. 2015, 212, 70-78.
Galicia-Andrés, E.; Pusztai, L.; Temleitner, L.; Pizio, O. Microscopic structure of methanol–water mixtures: Synchrotron X-ray diffraction experiments and molecular dynamics simulations over the entire composition range. J. Mol. Liq. 2015, 209, 586-595.
Pizio, O.; Rżysko, W.; Sokołowski, S.; Sokołowska, Z. Mixtures of ions and amphiphilic molecules in slit-like pores: A density functional approach. J. Chem. Phys. 2015, 142, 164703.
Galicia-Andrés, E.; Dominguez, H.; Pusztai, L.; Pizio, O. On the composition dependence of thermodynamic, dynamic and dielectric properties of water-methanol model mixtures. Molecular dynamics simulation results. Condens. Matter Phys. 2015, 18, 43602.
Galicia-Andrés, E.; Dominguez, H.; Pizio, O. Temperature dependence of the microscopic structure and density anomaly of the SPC/E and TIP4P-Ew water models. Molecular dynamics simulation results. Condens. Matter Phys. 2015, 18, 13603: 1–11.
CAPITULOS EN LIBROS
Patrykiejew, A.; Sokolowski, S. Pizio, O. Statistical Surface Thermodynamics. In: Surface and Interface Science; Wandelt, K.,Ed.; Wiley: Berlin, 2016; Vol. 6: Solid – Gas Interfaces II, pp. 883 – 1253.
Pizio, O.; Sokolowski, S. Advances in the theoretical description of solid-electrolyte solutions interfaces. In: Handbook of Solid State Electrochemistry; Kharton, V., Ed.; 2011; Vol. 2: Electrodes, Interfaces and Ceramic Membranes, pp. 73 – 124.
Sokolowski, S.; Pizio, O., Monte Carlo Calculations for Liquid Films. In: Encyclopedia of Surface and Colloid Science; Marcel Dekker: New York, 2002.
Borowko, M.; Sokolowski, S.; Pizio, O. Nonuniform Associating Fluids. In: Computational Methods in Surface and Colloid Science; Marcel Dekker: New York, 2000.
Pizio, O. Adsorption in Random Porous Media, In: Computational Methods in Surface and Colloid Science; Marcel Dekker: New York, 2000.
Investigador Titular C
Investigador Emérito del SNII
Correo: pizio@unam.mx
Tel. +(52) 55 56 22 45 11