Manuel
Martínez Piñeiro
Publications by the researcher in collaboration with Manuel Martínez Piñeiro (24)
2024
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Simulation of the THF hydrate-water interfacial free energy from computer simulation
Journal of Chemical Physics, Vol. 161, Núm. 6
2019
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Estudio de la compresibilidad de los hidratos de CH4 y CO2 mediante simulación molecular
La investigación del Grupo Especializado de Termodinámica de las Reales Sociedades Españolas de Física y Química. Vol. 8, Año 2017
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Estudio del tetrahidrofurano mediante dinámica molecular: modelado y propiedades interfaciales
La investigación del Grupo Especializado de Termodinámica de las Reales Sociedades Españolas de Física y Química. Vol. 8, Año 2017
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La investigación del Grupo Especializado de Termodinámica de las Reales Sociedades Españolas de Física y Química. Vol. 8, Año 2017
Universidad de Huelva
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On the Physical Insight into the Barotropic Effect in the Interfacial Behavior for the H2O + CO2 Mixture
Journal of Physical Chemistry C, Vol. 123, Núm. 46, pp. 28123-28130
2018
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Adsorption and interfacial phenomena of a Lennard-Jones fluid adsorbed in slit pores: DFT and GCMC simulations
Molecular Physics, Vol. 116, Núm. 21-22, pp. 3417-3424
2017
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Computational study of the interplay between intermolecular interactions and CO2 orientations in type i hydrates
Physical Chemistry Chemical Physics, Vol. 19, Núm. 4, pp. 3384-3393
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Measurement and modeling of high pressure density and interfacial tension of carbon dioxide + tetrahydrofuran mixture
Journal of Supercritical Fluids, Vol. 128, pp. 359-369
2016
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Interfacial tensions of industrial fluids from a molecular-based square gradient theory
AIChE Journal, Vol. 62, Núm. 5, pp. 1781-1794
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On interfacial properties of tetrahydrofuran: Atomistic and coarse-grained models from molecular dynamics simulation
Journal of Chemical Physics, Vol. 144, Núm. 14
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Understanding the interfacial behavior in isopycnic Lennard-Jones mixtures by computer simulations
Physical Chemistry Chemical Physics, Vol. 18, Núm. 2, pp. 1114-1124
2015
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Molecular dynamics simulation of CO2 hydrates: Prediction of three phase coexistence line
Journal of Chemical Physics, Vol. 142, Núm. 12
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SAFT and Molecular Simulation Techniques: Application to Determination of Volumetric Excess Properties
VOLUME PROPERTIES: LIQUIDS, SOLUTIONS AND VAPOURS (ROYAL SOC CHEMISTRY), pp. 457-475
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Understanding the Phase Behavior of Tetrahydrofuran + Carbon Dioxide, + Methane, and + Water Binary Mixtures from the SAFT-VR Approach
Journal of Physical Chemistry B, Vol. 119, Núm. 44, pp. 14288-14302
2014
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An examination of the excess thermodynamic properties of flexible molecules from a molecular modelling perspective
Fluid Phase Equilibria, Vol. 361, pp. 93-103
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Comprehensive characterization of interfacial behavior for the mixture CO2 + H2O + CH4: Comparison between atomistic and coarse grained molecular simulation models and density gradient theory
Journal of Physical Chemistry C, Vol. 118, Núm. 42, pp. 24504-24519
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Nonlocal density functional theory and grand canonical monte carlo molecular simulations of water adsorption in confined media
Journal of Physical Chemistry C, Vol. 118, Núm. 43, pp. 24905-24914
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Phase equilibria and excess properties of short-alkane mixtures estimated using the SAFT-VR equation of state
Journal of Chemical and Engineering Data, Vol. 59, Núm. 10, pp. 3242-3249
2013
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Influence of the long-range corrections on the interfacial properties of molecular models using Monte Carlo simulation
Journal of Chemical Physics, Vol. 138, Núm. 3
2012
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On interfacial tension calculation from the test-area methodology in the grand canonical ensemble
Journal of Chemical Physics, Vol. 136, Núm. 11