Force fields for coarse-grained molecular simulations from a corresponding states correlation A Mejía, C Herdes, EA Müller Industrial & Engineering Chemistry Research 53 (10), 4131-4141, 2014 | 135 | 2014 |
Interfacial properties of selected binary mixtures containing n-alkanes EA Müller, A Mejía Fluid Phase Equilibria 282 (2), 68-81, 2009 | 127 | 2009 |
Use of equations of state and coarse grained simulations to complement experiments: Describing the interfacial properties of carbon dioxide+ decane and carbon dioxide+ eicosane … A Mejia, M Cartes, H Segura, EA Müller Journal of Chemical & Engineering Data 59 (10), 2928-2941, 2014 | 107 | 2014 |
Phase and interface behaviors in type-I and type-V Lennard-Jones mixtures: Theory and simulations A Mejía, JC Pàmies, D Duque, H Segura, LF Vega The Journal of chemical physics 123 (3), 2005 | 95 | 2005 |
SAFT-γ force field for the simulation of molecular fluids 6: Binary and ternary mixtures comprising water, carbon dioxide, and n-alkanes O Lobanova, A Mejia, G Jackson, EA Mueller The Journal of Chemical Thermodynamics 93, 320-336, 2016 | 87 | 2016 |
Interfacial tensions of industrial fluids from a molecular‐based square gradient theory JM Garrido, A Mejía, MM Pineiro, FJ Blas, EA Müller AIChE Journal 62 (5), 1781-1794, 2016 | 81 | 2016 |
Early regimes of water capillary flow in slit silica nanochannels E Oyarzua, JH Walther, A Mejía, HA Zambrano Physical Chemistry Chemical Physics 17 (22), 14731-14739, 2015 | 79 | 2015 |
Unnoticed pitfalls of soave-type alpha functions in cubic equations of state H Segura, T Kraska, A Mejía, J Wisniak, I Polishuk Industrial & engineering chemistry research 42 (22), 5662-5673, 2003 | 78 | 2003 |
High-pressure densities and interfacial tensions of binary systems containing carbon dioxide+ n-alkanes:(n-dodecane, n-tridecane, n-tetradecane) C Cumicheo, M Cartes, H Segura, EA Müller, A Mejía Fluid Phase Equilibria 380, 82-92, 2014 | 77 | 2014 |
Simultaneous prediction of interfacial tension and phase equilibria in binary mixtures: an approach based on cubic equations of state with improved mixing rules A Mejía, H Segura, LF Vega, J Wisniak Fluid phase equilibria 227 (2), 225-238, 2005 | 71 | 2005 |
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 |
Resolving Discrepancies in the Measurements of the Interfacial Tension for the CO2 + H2O Mixture by Computer Simulation EA Müller, A Mejía The journal of physical chemistry letters 5 (7), 1267-1271, 2014 | 62 | 2014 |
Combined experimental, theoretical, and molecular simulation approach for the description of the fluid-phase behavior of hydrocarbon mixtures within shale rocks C Herdes, C Petit, A Mejía, EA Muller Energy & fuels 32 (5), 5750-5762, 2018 | 60 | 2018 |
Comparison of United-Atom Potentials for the Simulation of Vapor–Liquid Equilibria and Interfacial Properties of Long-Chain n-Alkanes up to n-C100 EA Müller, A Mejia The Journal of Physical Chemistry B 115 (44), 12822-12834, 2011 | 57 | 2011 |
A rigorous approach for predicting the slope and curvature of the temperature–entropy saturation boundary of pure fluids JM Garrido, H Quinteros-Lama, A Mejía, J Wisniak, H Segura Energy 45 (1), 888-899, 2012 | 55 | 2012 |
Prediction of the water/oil interfacial tension from molecular simulations using the coarse-grained SAFT-γ Mie force field C Herdes, Å Ervik, A Mejía, EA Müller Fluid Phase Equilibria 476, 9-15, 2018 | 48 | 2018 |
Interfacial tensions of binary mixtures of ethanol with octane, decane, dodecane, and tetradecane A Mejía, M Cartes, H Segura The Journal of Chemical Thermodynamics 43 (9), 1395-1400, 2011 | 48 | 2011 |
Bottled SAFT: A web app providing SAFT-γ Mie force field parameters for thousands of molecular fluids Å Ervik, A Mejia, EA Muller Journal of chemical information and modeling 56 (9), 1609-1614, 2016 | 44 | 2016 |
Assessing salt-surfactant synergistic effects on interfacial tension from molecular dynamics simulations G Alonso, P Gamallo, A Mejia, R Sayos Journal of Molecular Liquids 299, 112223, 2020 | 41 | 2020 |
Atmospheric densities and interfacial tensions for 1-alkanol (1-butanol to 1-octanol)+ water and ether (MTBE, ETBE, DIPE, TAME and THP)+ water demixed mixtures H Cárdenas, M Cartes, A Mejía Fluid Phase Equilibria 396, 88-97, 2015 | 38 | 2015 |