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Article Dans Une Revue Journal of Chemical Physics Année : 2011

Local pressure components and surface tension of spherical interfaces. Thermodynamic versus mechanical definitions. I. A mesoscale modeling of droplets

Aziz Ghoufi

Résumé

We report mesoscale simulations of spherical drops to investigate the surface tension and mechanical properties. The Monte Carlo simulations are performed with the multibody potential commonly used in the many-body dissipative particle dynamics simulations. We establish here the calculation of the local normal and transverse components of the pressure tensor via the perturbation volume within the thermodynamic route. The different profiles of these components are compared to those calculated using the mechanical approach. To complete the mesoscale modeling of drops, we investigate the curvature dependence of the surface tension in order to calculate the Tolman's length, which is found to be negative.
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Dates et versions

hal-00714090 , version 1 (03-07-2012)

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Aziz Ghoufi, Patrice Malfreyt. Local pressure components and surface tension of spherical interfaces. Thermodynamic versus mechanical definitions. I. A mesoscale modeling of droplets. Journal of Chemical Physics, 2011, 135 (10), pp.4105. ⟨10.1063/1.3632991⟩. ⟨hal-00714090⟩
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