Simultaneous application of the gradient theory and Monte Carlo molecular simulation for the investigation of methane/water interfacial properties C Miqueu, JM Miguez, MM Pineiro, T Lafitte, B Mendiboure The Journal of Physical Chemistry B 115 (31), 9618-9625, 2011 | 137 | 2011 |
Molecular dynamics simulation of CO2 hydrates: Prediction of three phase coexistence line JM Míguez, MM Conde, JP Torré, FJ Blas, MM Piñeiro, C Vega The Journal of Chemical Physics 142 (12), 124505, 2015 | 114 | 2015 |
Influence of the long-range corrections on the interfacial properties of molecular models using Monte Carlo simulation JM Míguez, MM Piñeiro, FJ Blas The Journal of Chemical Physics 138 (3), 034707, 2013 | 69 | 2013 |
Comprehensive Characterization of Interfacial Behavior for the Mixture CO2 + H2O + CH4: Comparison between Atomistic and Coarse Grained Molecular … JM Miguez, JM Garrido, FJ Blas, H Segura, A Mejia, MM Pineiro The Journal of Physical Chemistry C 118 (42), 24504-24519, 2014 | 67 | 2014 |
Calculation of interfacial properties using molecular simulation with the reaction field method: Results for different water models JM Míguez, D González-Salgado, JL Legido, MM Piñeiro The Journal of Chemical Physics 132 (18), 184102, 2010 | 48 | 2010 |
An examination of the ternary methane+ carbon dioxide+ water phase diagram using the SAFT-VR approach JM Míguez, MC Dos Ramos, MM Piñeiro, FJ Blas The Journal of Physical Chemistry B 115 (31), 9604-9617, 2011 | 36 | 2011 |
Vapor-liquid interfacial properties of rigid-linear Lennard-Jones chains FJ Blas, A Ignacio Moreno-Ventas Bravo, JM Míguez, MM Piñeiro, ... The Journal of Chemical Physics 137 (8), 084706, 2012 | 34 | 2012 |
Nonlocal density functional theory and grand canonical Monte Carlo molecular simulations of water adsorption in confined media C Malheiro, B Mendiboure, JM Miguez, MM Pineiro, C Miqueu The Journal of Physical Chemistry C 118 (43), 24905-24914, 2014 | 27 | 2014 |
On the Physical Insight into the Barotropic Effect in the Interfacial Behavior for the H2O + CO2 Mixture JM Garrido, H Quinteros-Lama, JM Míguez, FJ Blas, MM Piñeiro The Journal of Physical Chemistry C 123 (46), 28123-28130, 2019 | 25 | 2019 |
Computational study of the interplay between intermolecular interactions and CO 2 orientations in type I hydrates M Pérez-Rodríguez, A Vidal-Vidal, JM Míguez, FJ Blas, JP Torré, ... Physical Chemistry Chemical Physics 19 (4), 3384-3393, 2017 | 22 | 2017 |
Solubility of Methane in Water: Some Useful Results for Hydrate Nucleation J Grabowska, S Blazquez, E Sanz, IM Zerón, J Algaba, JM Míguez, ... The Journal of Physical Chemistry B 126 (42), 8553-8570, 2022 | 20 | 2022 |
Phase equilibria and interfacial properties of the tetrahydrofuran+ methane binary mixture from experiment and computer simulation J Algaba, M Cartes, A Mejia, JM Míguez, FJ Blas The Journal of Physical Chemistry C 123 (34), 20960-20970, 2019 | 20 | 2019 |
Understanding the phase behavior of tetrahydrofuran+ carbon dioxide,+ methane, and+ water binary mixtures from the SAFT-VR approach JM Miguez, MM Piñeiro, J Algaba, B Mendiboure, JP Torré, FJ Blas The Journal of Physical Chemistry B 119 (44), 14288-14302, 2015 | 20 | 2015 |
On interfacial properties of tetrahydrofuran: Atomistic and coarse-grained models from molecular dynamics simulation JM Garrido, J Algaba, JM Míguez, B Mendiboure, ... The Journal of Chemical Physics 144 (14), 144702, 2016 | 18 | 2016 |
Effect of molecular flexibility of Lennard-Jones chains on vapor-liquid interfacial properties FJ Blas, AIMV Bravo, J Algaba, FJ Martínez-Ruiz, LG MacDowell The Journal of Chemical Physics 140 (11), 114705, 2014 | 18 | 2014 |
On interfacial tension calculation from the test-area methodology in the grand canonical ensemble JM Míguez, MM Piñeiro, AI Moreno-Ventas Bravo, FJ Blas The Journal of Chemical Physics 136 (11), 114707, 2012 | 18 | 2012 |
Vapour–liquid phase equilibria and interfacial properties of fatty acid methyl esters from molecular dynamics simulations E Feria, J Algaba, JM Míguez, A Mejía, P Gómez-Álvarez, FJ Blas Physical Chemistry Chemical Physics 22 (9), 4974-4983, 2020 | 15 | 2020 |
Simulation of the Carbon Dioxide Hydrate-Water Interfacial Energy J Algaba, E Acuña, JM Míguez, B Mendiboure, IM Zerón, FJ Blas Journal of Colloid and Interface Science, 2022 | 14 | 2022 |
Interfacial Properties of Tetrahydrofuran and Carbon Dioxide Mixture from Computer Simulation J Algaba, JM Garrido, JM Míguez, A Mejia, AI Moreno-Ventas Bravo, ... The Journal of Physical Chemistry C 122 (28), 16142-16153, 2018 | 14 | 2018 |
Vapour–liquid interfacial properties of square-well chains from density functional theory and Monte Carlo simulation FJ Martínez-Ruiz, FJ Blas, AIMV Bravo, JM Míguez, LG MacDowell Physical Chemistry Chemical Physics 19 (19), 12296-12309, 2017 | 14 | 2017 |