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Exploring the Effects of Atmospheric Forcings on Evaporation: Experimental Integration of the Atmospheric Boundary Layer and Shallow Subsurface
Published on: June 8, 2015
Transfer coefficients for evaporation of a system with a Lennard-Jones long-range spline potential
Jialin Ge1, S Kjelstrup, D Bedeaux
1Department of Chemistry, Norwegian University of Science and Technology, NO-7491 Trondheim, Norway.
Abstract:
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, J. Colloid Interface Sci. 240, 355 (2001); J. Xu, 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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