Computation of elastic constants of solids using molecular simulation: comparison of constant volume and constant pressure ensemble methods
Clavier, G., Desbiens, N., Bourasseau, E., Lachet, V., Brusselle-Dupend, N., Rousseau, B.
Published in Molecular simulation (22.11.2017)
Published in Molecular simulation (22.11.2017)
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Journal Article
Surface tension of water and acid gases from Monte Carlo simulations
Ghoufi, A, Goujon, F, Lachet, V, Malfreyt, P
Published in The Journal of chemical physics (21.04.2008)
Published in The Journal of chemical physics (21.04.2008)
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Journal Article
Monte Carlo calculation of the methane-water interfacial tension at high pressures
Biscay, F, Ghoufi, A, Lachet, V, Malfreyt, P
Published in The Journal of chemical physics (28.09.2009)
Published in The Journal of chemical physics (28.09.2009)
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Journal Article
Classical Force Field for Hydrofluorocarbon Molecular Simulations. Application to the Study of Gas Solubility in Poly(vinylidene fluoride)
Lachet, V, Teuler, J.-M, Rousseau, B
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08.01.2015)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08.01.2015)
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Journal Article
Prediction of the Surface Tension of the Liquid−Vapor Interface of Alcohols from Monte Carlo Simulations
Biscay, F, Ghoufi, A, Lachet, V, Malfreyt, P
Published in Journal of physical chemistry. C (05.05.2011)
Published in Journal of physical chemistry. C (05.05.2011)
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Journal Article
Monte Carlo Simulations of the Pressure Dependence of the Water−Acid Gas Interfacial Tensions
Biscay, F, Ghoufi, A, Lachet, V, Malfreyt, P
Published in The journal of physical chemistry. B (29.10.2009)
Published in The journal of physical chemistry. B (29.10.2009)
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Journal Article
Influence of high spressures on CH4, CO2 and H2S solubility in polyethylene: Experimental and molecular simulation approaches for pure gas and gas mixtures. Modelling of the sorption isotherms
Sarrasin, F., Memari, Peyman, Klopffer, Marie-Hélène, Lachet, Véronique, Taravel-Condat, C., Rousseau, B. , Espuche, Eliane
Published in Journal of membrane science (15.09.2015)
Published in Journal of membrane science (15.09.2015)
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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
Equilibrium and transport properties of CO2+N2O and CO2+NO mixtures: Molecular simulation and equation of state modelling study
Lachet, V., Creton, B., de Bruin, T., Bourasseau, E., Desbiens, N., Wilhelmsen, Ø., Hammer, M.
Published in Fluid phase equilibria (25.05.2012)
Published in Fluid phase equilibria (25.05.2012)
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Journal Article
Multiple histogram reweighting method for the surface tension calculation
Ghoufi, A, Goujon, F, Lachet, V, Malfreyt, P
Published in The Journal of chemical physics (21.04.2008)
Published in The Journal of chemical physics (21.04.2008)
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Journal Article
Simulations of the Impact of Co-injected Gases on CO2 Storage, the SIGARRR Project: First Results on Water-gas Interactions Modeling
Corvisier, J., Ahmar, E. El, Coquelet, C., Sterpenich, J., Privat, R., Jaubert, J.-N., Ballerat-Busserolles, K., Coxam, J.-Y., Cézac, P., Contamine, F., Serin, J.-P., Lachet, V., Creton, B., Parmentier, M., Blanc, P., André, L., de Lary, L., Gaucher, E.C.
Published in Energy procedia (2014)
Published in Energy procedia (2014)
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