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RESEARCH PRODUCT

Transfer coefficients for evaporation of a system with a Lennard-Jones long-range spline potential

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International audience; Surface transfer coefficients are determined by nonequilibrium molecular dynamics simulations for a Lennard-Jones fluid with a long-range spline potential. In earlier work A. Røsjorde et al., J. Colloid Interface Sci. 240, 355 2001; J. Xu et al., ibid. 299, 452 2006, using a short-range Lennard-Jones spline potential, it was found that the resistivity coefficients to heat and mass transfer agreed rather well with the values predicted by kinetic theory. For the long-range Lennard-Jones spline potential considered in this paper we find significant discrepancies from the values predicted by kinetic theory. In particular the coupling coefficient, and as a consequence the heat of transfer on the vapor side of the surface are much larger. Thermodynamic data for the liquid-vapor equilibrium confirmed the law of corresponding states for the surface, when it is described as an autonomous system. The importance of these findings for modelling phase transitions is discussed.