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AG

Aziz Ghoufi

5
Documents
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Publications

878616

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
Journal of Chemical Theory and Computation, 2014, 10, pp.1887-1899. ⟨10.1021/ct500053c⟩
Article dans une revue hal-01080216v1
Image document

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
Chemical Physics Letters, 2014, 595-596, pp.209-213. ⟨10.1016/j.cplett.2014.02.014⟩
Article dans une revue hal-00965746v1

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
Physical Chemistry Chemical Physics, 2013, 2013 (15), pp.11679-11690. ⟨10.1039/C3CP50904D⟩
Article dans une revue hal-00828145v1

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
Journal of Chemical Physics, 2013, 139 (2), pp.024701. ⟨10.1063/1.4811679⟩
Article dans une revue hal-00844526v1
Image document

Optimisation of the dynamical behaviour of the Anisotropic United Atom Model of branched alkanes. Application to the molecular simulation of fuel gasoline

 Carlos Nieto-Draghi , Anthony Bocahut , Benoît Creton , Pascal Have , Aziz Ghoufi
Molecular Simulation, 2008, 34 (02), pp.211-230. ⟨10.1080/08927020801993370⟩
Article dans une revue hal-00515029v1