Recent advances in Many Body Dissipative Particles Dynamics simulations of liquid-vapor interfaces.
Many Body Dissipative Particles Dynamics (MDPD) simulation is a novel promising mesoscopic method to model the liquid-vapor interfaces. Based upon works of Paganobarraga and Frenkel (J. Chem. Phys. 15, 5015 (2001)) and Trofimov (J. Chem. Phys. 117, 9383 (2002)) and of Warren (Phys. Rev. E 68, 066702 (2003)) this method has been critically reviewed during this last decade. We propose here to give an overview of the Many Body Dissipative Particles Dynamic simulation within the framework of the liquid-vapor interfaces. We recall the theoretical background of MDPD and we present some recent results of systems of interest such as water liquid-vapor interfaces and salt effect on water surface tension. Additionally we discuss the ability of MDPD to capture the mechanisms at the mesoscopic scale through the formation of micelles and the coalescence of a nanodroplet water on water surface.
Institut de Physique de Rennes, Université Rennes 1, 263 avenue du Général Leclerc, 35042, Rennes, France. aziz.ghoufi@univ-rennes1.fr
Aziz
A
Ghoufi
Janine
J
Emile
Patrice
P
Malfreyt
D005740:Gases / Q000737:chemistry*; D008823:Micelles; D056004:Molecular Dynamics Simulation; D009010:Monte Carlo Method; D049329:Nanostructures / Q000737:chemistry; D012492:Salts / Q000737:chemistry; D013500:Surface Tension; D014835:Volatilization; D014867:Water / Q000737:chemistry*
D005740:Gases; D008823:Micelles; D012492:Salts; D014867:Water