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Article Dans Une Revue Physical Review E : Statistical, Nonlinear, and Soft Matter Physics Année : 2007

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

Résumé

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.
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hal-00454054 , version 1 (07-02-2010)

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  • HAL Id : hal-00454054 , version 1

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Jialin Ge, Signe Kjelstrup, Dick Bedeaux, Jean-Marc Simon, Bernard Rousseau. Transfer coefficients for evaporation of a system with a Lennard-Jones long-range spline potential. Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2007, 75 (1-10), pp.061604. ⟨hal-00454054⟩
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