| 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 | 140 | 2014 |
| Interfacial properties of selected binary mixtures containing n-alkanes EA Müller, A Mejía Fluid Phase Equilibria 282 (2), 68-81, 2009 | 135 | 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 | 114 | 2014 |
| 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 | 99 | 2016 |
| 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 | 96 | 2005 |
| 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 | 90 | 2016 |
| 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 | 81 | 2003 |
| 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 | 80 | 2015 |
| 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 | 78 | 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 | 74 | 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 | 72 | 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 | 66 | 2018 |
| 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 | 65 | 2014 |
| 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 | 60 | 2012 |
| 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 | 59 | 2011 |
| 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 | 53 | 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 | 51 | 2011 |
| 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 | 47 | 2020 |
| 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 | 46 | 2016 |
| A guide to computing interfacial properties of fluids from molecular simulations [Article v1. 0] EA Muller, Å Ervik, A Mejía Living Journal of Computational Molecular Science 2 (1), 21385-21385, 2020 | 42 | 2020 |
Erich A. MullerProfessor of Thermodynamics; Imperial College LondonVerified email at imperial.ac.uk
