Prediction of the concentration dependence of the surface tension and density of salt solutions: atomistic simulations using Drude oscillator polarizable and nonpolarizable models
NEYT, Jean-Claude, WENDER, Aurélie, LACHET, Véronique, GHOUFI, Aziz, MALFREYT, Patrice
Published in Physical chemistry chemical physics : PCCP (28.07.2013)
Published in Physical chemistry chemical physics : PCCP (28.07.2013)
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Journal Article
Quantitative Predictions of the Interfacial Tensions of Liquid–Liquid Interfaces through Atomistic and Coarse Grained Models
Neyt, Jean-Claude, Wender, Aurélie, Lachet, Véronique, Ghoufi, Aziz, Malfreyt, Patrice
Published in Journal of chemical theory and computation (13.05.2014)
Published in Journal of chemical theory and computation (13.05.2014)
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Journal Article
Experimental Data and Modeling of Solution Density and Heat Capacity in the Na–K–Ca–Mg–Cl–H 2 O System up to 353.15 K and 5 mol·kg –1 Ionic Strength
Lach, Adeline, Ballerat-Busserolles, Karine, André, Laurent, Simond, Mickaël, Lassin, Arnault, Cézac, Pierre, Neyt, Jean-Claude, Serin, Jean-Paul
Published in Journal of chemical and engineering data (12.10.2017)
Published in Journal of chemical and engineering data (12.10.2017)
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Journal Article
Nanoconfined Electrolyte Solutions in Porous Hydrophilic Silica Membranes
Renou, R., Ghoufi, A., Szymczyk, A., Zhu, H., Neyt, J.-C., Malfreyt, P.
Published in Journal of physical chemistry. C (30.05.2013)
Published in Journal of physical chemistry. C (30.05.2013)
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Journal Article
Experimental Data and Modeling of Solution Density and Heat Capacity in the Na–K–Ca–Mg–Cl–H2O System up to 353.15 K and 5 mol·kg–1 Ionic Strength
Lach, Adeline, Ballerat-Busserolles, Karine, André, Laurent, Simond, Mickaël, Lassin, Arnault, Cézac, Pierre, Neyt, Jean-Claude, Serin, Jean-Paul
Published in Journal of chemical and engineering data (12.10.2017)
Published in Journal of chemical and engineering data (12.10.2017)
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Journal Article
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
Neyt, J. C., Wender, A., Lachet, V., Ghoufi, A., Malfreyt, P.
Published in The Journal of chemical physics (14.07.2013)
Published in The Journal of chemical physics (14.07.2013)
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Journal Article
Prediction of the Temperature Dependence of the Surface Tension Of SO sub(2), N sub(2), O sub(2), and Ar by Monte Carlo Molecular Simulations
Neyt, Jean-Claude, Wender, Aurelie, Lachet, Veronique, Malfreyt, Patrice
Published in The journal of physical chemistry. B (04.08.2011)
Published in The journal of physical chemistry. B (04.08.2011)
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Journal Article
Quantitative prediction of the interface tension of liquid-liquid interfaces through atomistic and coarse-grained models
Neyt, Jean-Claude, Wender, Aurélie, Lachet, Véronique, Ghoufi, Aziz, Malfreyt, Patrice
Published in Journal of chemical theory and computation (2014)
Published in Journal of chemical theory and computation (2014)
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Journal Article
Prediction of the concentration dependence of the surface tension and density of salt solutions : atomistic simulations with polarizable and nonpolarizable models
Neyt, Jean-Claude, Wender, Aurélie, Lachet, Véronique, Ghoufi, Aziz, Malfreyt, Patrice
Published in Physical chemistry chemical physics : PCCP (16.05.2013)
Published in Physical chemistry chemical physics : PCCP (16.05.2013)
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