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How does the electronic continuum model perform in the prediction of the surface tension of salt solutions?
Jean-Claude Neyt
,
Aurélie Wender
,
Véronique Lachet
,
Anthony Szymczyk
,
Aziz Ghoufi
Article dans une revue
hal-00965746v1
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Quantitative prediction of the interface tension of liquid-liquid interfaces through atomistic and coarse-grained models.
Jean-Claude Neyt
,
Aurélie Wender
,
Véronique Lachet
,
Aziz Ghoufi
,
Patrice Malfreyt
Article dans une revue
hal-01080216v1
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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
Jean-Claude Neyt
,
Aurélie Wender
,
Véronique Lachet
,
Aziz Ghoufi
,
Patrice Malfreyt
Article dans une revue
hal-00844526v1
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Prediction of the concentration dependence of the surface tension and density of salt solutions : atomistic simulations with polarizable and nonpolarizable models.
Jean-Claude Neyt
,
Aurélie Wender
,
Véronique Lachet
,
Aziz Ghoufi
,
Patrice Malfreyt
Article dans une revue
hal-00828145v1
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Prediction of the Surface Tension of the Liquid−Vapor Interface of Alcohols from Monte Carlo Simulations
Frédéric Biscay
,
Aziz Ghoufi
,
Véronique Lachet
,
Patrice Malfreyt
Article dans une revue
hal-00713070v1
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Monte Carlo calculations of the methane-water interfacial tension at high pressures
Frédéric Biscay
,
Aziz Ghoufi
,
Véronique Lachet
,
Patrice Malfreyt
Journal of Chemical Physics, 2009, 131, pp.124707
Article dans une revue
hal-00477635v1
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Calculation of the surface tension of cyclic and aromatic hydrocarbons from Monte Carlo simulaitons using the Anisotropic United Atom model
Frédéric Biscay
,
Aziz Ghoufi
,
Véronique Lachet
,
Patrice Malfreyt
Physical Chemistry Chemical Physics, 2009, 111, pp.6132-6147
Article dans une revue
hal-00359033v1
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Calculation of the surface tension from Monte Carlo simulations: does the model impact on the finite-size effects ?
Frédéric Biscay
,
Aziz Ghoufi
,
Florent Goujon
,
Véronique Lachet
,
Patrice Malfreyt
Journal of Chemical Physics, 2009, 130, pp.184710
Article dans une revue
hal-00359035v1
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Calculation of the surface tension from Monte Carlo simulations: does the model impact on the finite-size effects?
Frédéric Biscay
,
Aziz Ghoufi
,
Florent Goujon
,
Véronique Lachet
,
Patrice Malfreyt
Article dans une revue
hal-00665326v1
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Monte Carlo calculation of the methane-water interfacial tension at high pressures
Frédéric Biscay
,
Aziz Ghoufi
,
Véronique Lachet
,
Patrice Malfreyt
Article dans une revue
hal-00665475v1
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Monte Carlo simulations of the pressure dependence of the water-acid gas interfacial tensions.
Frédéric Biscay
,
Aziz Ghoufi
,
Véronique Lachet
,
Patrice Malfreyt
Journal of Physical Chemistry B, 2009, 113, pp.14277-14290
Article dans une revue
hal-00477644v1
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Surface tensions of linear and branched alkanes from Monte Carlo simulations using the Anisotropic United Atom (AUA) model
Frédéric Biscay
,
Aziz Ghoufi
,
Florent Goujon
,
Véronique Lachet
,
Patrice Malfreyt
Journal of Physical Chemistry B, 2008, 112, pp.13885-13897
Article dans une revue
hal-00342620v1
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Surface tension of water and acid gazes from Monte Carlo simulations
Aziz Ghoufi
,
Florent Goujon
,
Véronique Lachet
,
Patrice Malfreyt
Journal of Chemical Physics, 2008, 128, pp.154716
Article dans une revue
hal-00295151v1
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