Citations (38)
Keep up to date with the latest research on this topic with citation updates for this article.
Read on this site (4)
Aziz Ghoufi & Patrice Malfreyt. (2021) Interfacial tension of the graphene–water solid–liquid interface: how to handle the electrostatic interactions?. Molecular Physics 119:19-20.
Read now
Read now
Khoa Bui & I. Yucel Akkutlu. (2015) Nanopore wall effect on surface tension of methane. Molecular Physics 113:22, pages 3506-3513.
Read now
Read now
Patrice Malfreyt. (2014) Calculation of the surface tension of planar interfaces by molecular simulations: from Lennard-Jones fluids to binary mixtures. Molecular Simulation 40:1-3, pages 106-114.
Read now
Read now
S. Supple & N. Quirke. (2003) Short Range United Atom Potentials for Alkanes: Decane and Nonane. Molecular Simulation 29:2, pages 77-82.
Read now
Read now
Articles from other publishers (34)
Julien Devémy, Alain Dequidt & Patrice Malfreyt. (2023) A Consistent Thermodynamic Characterization of the Adsorption Process through the Calculation of Free Energy Contributions. The Journal of Physical Chemistry B 127:23, pages 5360-5370.
Crossref
Crossref
Pierre Fayon, Julien Devémy, Constance Emeriau-Viard, Karine Ballerat-Busserolles, Florent Goujon, Alain Dequidt, Alain Marty, Patrice Hauret & Patrice Malfreyt. (2023) Energetic and Structural Characterizations of the PET–Water Interface as a Key Step in Understanding Its Depolymerization. The Journal of Physical Chemistry B.
Crossref
Crossref
Mathilde Orselly, Julien Devémy, Agathe Bouvet-Marchand, Alain Dequidt, Cédric Loubat & Patrice Malfreyt. (2022) Molecular interactions at the metal–liquid interfaces. The Journal of Chemical Physics 156:23.
Crossref
Crossref
Florent Goujon, Aziz Ghoufi & Patrice Malfreyt. (2021) Associated molecular liquids at the graphene monolayer interface. The Journal of Chemical Physics 154:10.
Crossref
Crossref
F. Goujon, P. Malfreyt & D. J. Tildesley. (2019) The pair distribution function in the planar gas–liquid interface: Application to the calculation of the surface tension. The Journal of Chemical Physics 151:20.
Crossref
Crossref
Mikael Christensen, Volker Eyert, Arthur France-Lanord, Clive Freeman, Benoît Leblanc, Alexander Mavromaras, Stephen J Mumby, David Reith, David Rigby, Xavier Rozanska, Hannes Schweiger, Tzu-Ray Shan, Philippe Ungerer, René Windiks, Walter Wolf, Marianna Yiannourakou & Erich Wimmer. (2017) Software Platforms for Electronic/Atomistic/Mesoscopic Modeling: Status and Perspectives. Integrating Materials and Manufacturing Innovation 6:1, pages 92-110.
Crossref
Crossref
Aziz Ghoufi, Patrice Malfreyt & Dominic J. Tildesley. (2016) Computer modelling of the surface tension of the gas–liquid and liquid–liquid interface. Chemical Society Reviews 45:5, pages 1387-1409.
Crossref
Crossref
Florent Goujon, Patrice Malfreyt & Dominic J. Tildesley. (2015)
Response to “Comment on ‘The gas-liquid surface tension of argon: A reconciliation between experiment and simulation”’ [J. Chem. Phys.
142
, 107101 (2015)]
. The Journal of Chemical Physics 142:10.
Crossref
Crossref
Florent Goujon, Patrice Malfreyt & Dominic J. Tildesley. (2014) The gas-liquid surface tension of argon: A reconciliation between experiment and simulation. The Journal of Chemical Physics 140:24.
Crossref
Crossref
Jean-Claude Neyt, Aurélie Wender, Véronique Lachet, Aziz Ghoufi & Patrice Malfreyt. (2014) Quantitative Predictions of the Interfacial Tensions of Liquid–Liquid Interfaces through Atomistic and Coarse Grained Models. Journal of Chemical Theory and Computation 10:5, pages 1887-1899.
Crossref
Crossref
F. J. Blas, A. I. Moreno-Ventas Bravo, J. Algaba, F. J. Martínez-Ruiz & L. G. MacDowell. (2014) Effect of molecular flexibility of Lennard-Jones chains on vapor-liquid interfacial properties. The Journal of Chemical Physics 140:11.
Crossref
Crossref
Yasaman Ghadar & Aurora E. Clark. (2014) Intermolecular network analysis of the liquid and vapor interfaces of pentane and water: microsolvation does not trend with interfacial properties. Phys. Chem. Chem. Phys. 16:24, pages 12475-12487.
Crossref
Crossref
Yang Liu, Thomas Lafitte, Athanassios Z. Panagiotopoulos & Pablo G. Debenedetti. (2013)
Simulations of vapor-liquid phase equilibrium and interfacial tension in the CO
2
-H
2
O-NaCl system
. AIChE Journal 59:9, pages 3514-3522.
Crossref
Crossref
J. C. Neyt, A. Wender, V. Lachet, A. Ghoufi & P. Malfreyt. (2013) Molecular modeling of the liquid-vapor interfaces of a multi-component mixture: Prediction of the coexisting densities and surface tensions at different pressures and gas compositions. The Journal of Chemical Physics 139:2.
Crossref
Crossref
Emeric Bourasseau, Ahmed-Amine Homman, Olivier Durand, Aziz Ghoufi & Patrice Malfreyt. (2013) Calculation of the surface tension of liquid copper from atomistic Monte Carlo simulations. The European Physical Journal B 86:6.
Crossref
Crossref
Aziz Ghoufi, Janine Emile & Patrice Malfreyt. (2013) Recent advances in Many Body Dissipative Particles Dynamics simulations of liquid-vapor interfaces. The European Physical Journal E 36:1.
Crossref
Crossref
Jean-Claude Neyt, Aurélie Wender, Véronique Lachet, Aziz Ghoufi & Patrice Malfreyt. (2013) Prediction of the concentration dependence of the surface tension and density of salt solutions: atomistic simulations using Drude oscillator polarizable and nonpolarizable models. Physical Chemistry Chemical Physics 15:28, pages 11679.
Crossref
Crossref
Jean-Claude Neyt, Aurélie Wender, Véronique Lachet & Patrice Malfreyt. (2012)
Modeling the Pressure Dependence of Acid Gas +
n
-Alkane Interfacial Tensions Using Atomistic Monte Carlo Simulations.
. The Journal of Physical Chemistry C 116:19, pages 10563-10572.
Crossref
Crossref
Abu M. Hassan, Dung T. Vu, Damien A. Bernard-Brunel, J. Richard Elliott, Dennis J. Miller & Carl T. Lira. (2012) Application of the Step Potential for Equilibria and Dynamics (SPEAD) Method to Bioderived Esters and Acetals. Industrial & Engineering Chemistry Research 51:8, pages 3209-3214.
Crossref
Crossref
Jean-Claude Neyt, Aurélie Wender, Véronique Lachet & Patrice Malfreyt. (2011)
Prediction of the Temperature Dependence of the Surface Tension Of SO
2
, N
2
, O
2
, and Ar by Monte Carlo Molecular Simulations
. The Journal of Physical Chemistry B 115:30, pages 9421-9430.
Crossref
Crossref
F. Biscay, A. Ghoufi, V. Lachet & P. Malfreyt. (2011) Prediction of the Surface Tension of the Liquid−Vapor Interface of Alcohols from Monte Carlo Simulations. The Journal of Physical Chemistry C 115:17, pages 8670-8683.
Crossref
Crossref
A. Ghoufi & P. Malfreyt. (2011) Mesoscale modeling of the water liquid-vapor interface: A surface tension calculation. Physical Review E 83:5.
Crossref
Crossref
F. Biscay, A. Ghoufi & P. Malfreyt. (2011) Surface tension of water–alcohol mixtures from Monte Carlo simulations. The Journal of Chemical Physics 134:4.
Crossref
Crossref
Frédéric Biscay, Aziz Ghoufi & Patrice Malfreyt. (2011) Adsorption of n-alkane vapours at the water surface. Physical Chemistry Chemical Physics 13:23, pages 11308.
Crossref
Crossref
A. Ghoufi & P. Malfreyt. (2010) Calculation of the surface tension from multibody dissipative particle dynamics and Monte Carlo methods. Physical Review E 82:1.
Crossref
Crossref
F. Goujon, C. Bonal, B. Limoges & P. Malfreyt. (2010) Molecular Dynamics Simulations of Ferrocene-Terminated Self-Assembled Monolayers. The Journal of Physical Chemistry B 114:19, pages 6447-6454.
Crossref
Crossref
Aziz Ghoufi & Patrice Malfreyt. (2010) Numerical evidence of the formation of a thin microscopic film of methane at the water surface: a free energy calculation. Physical Chemistry Chemical Physics 12:20, pages 5203.
Crossref
Crossref
F. Biscay, A. Ghoufi, V. Lachet & P. Malfreyt. (2009) Monte Carlo calculation of the methane-water interfacial tension at high pressures. The Journal of Chemical Physics 131:12.
Crossref
Crossref
Philippe Ungerer, Carlos Nieto-Draghi, Bernard Rousseau, Göktug Ahunbay & Véronique Lachet. (2007) Molecular simulation of the thermophysical properties of fluids: From understanding toward quantitative predictions. Journal of Molecular Liquids 134:1-3, pages 71-89.
Crossref
Crossref
Florent Goujon, Patrice Malfreyt, Jean-Marc Simon, Anne Boutin, Bernard Rousseau & Alain H. Fuchs. (2004)
Monte Carlo versus molecular dynamics simulations in heterogeneous systems: An application to the
n
-pentane liquid-vapor interface
. The Journal of Chemical Physics 121:24, pages 12559-12571.
Crossref
Crossref
Daniel Duque & Lourdes F. Vega. (2004) Some issues on the calculation of interfacial properties by molecular simulation. The Journal of Chemical Physics 121:17, pages 8611-8617.
Crossref
Crossref
Lev D. Gelb & Erich A. Müller. (2002) Location of phase equilibria by temperature-quench molecular dynamics simulations. Fluid Phase Equilibria 203:1-2, pages 1-14.
Crossref
Crossref
Florent Goujon, Patrice Malfreyt, Anne Boutin & Alain H. Fuchs. (2002)
Direct Monte Carlo simulations of the equilibrium properties of
n
-pentane liquid–vapor interface
. The Journal of Chemical Physics 116:18, pages 8106-8117.
Crossref
Crossref
Ritesh Shetty & Fernando A. Escobedo. (2002) On the application of virtual Gibbs ensembles to the direct simulation of fluid–fluid and solid–fluid phase coexistence. The Journal of Chemical Physics 116:18, pages 7957-7966.
Crossref
Crossref