Electromechanics of the liquid water vapour interface
نویسندگان
چکیده
منابع مشابه
Hydrogen bonding and molecular orientation at the liquid-vapour interface of water.
We determine the molecular structure and orientation at the liquid-vapour interface of water using an electronically coarse grained model constructed to include all long-range electronic responses within Gaussian statistics. The model, fit to the properties of the isolated monomer and dimer, is sufficiently responsive to generate the temperature dependence of the surface tension from ambient co...
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A. OANCEA, B. HANOUNE, C. FOCSA, B. CHAZALLON, [email protected] 1 Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM), UMR CNRS 8523, Centre d’Etudes et de Recherches Lasers et Applications (CERLA, FR CNRS 2416), Université des Sciences et Technologies de Lille, 59655 Villeneuve d’Ascq , France 2 Physico-Chimie des Processus de Combustion et de l’Atmosphère (PC2A), U...
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We calculate an atomistically detailed free-energy profile across a heterogeneous system using a nonequilibrium approach. The path-integral formulation of Crooks fluctuation theorem is used in conjunction with the intrinsic sampling method to calculate the free-energy profile for the liquid-vapour interface of the Lennard-Jones fluid. Free-energy barriers are found corresponding to the atomic l...
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The study of the liquid-vapor interface and of the cavitation phenomenon in water can give deeper insight in its metastable phase diagram. We show how two different equations of state proposed for water, combined with the van der Waals-Cahn-Hilliard theory of a nonuniform system, lead to qualitatively different predictions. In particular, the thickness of the liquid-vapor interface is found eit...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2020
ISSN: 1463-9076,1463-9084
DOI: 10.1039/c9cp06901a