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J Chem Phys ; 144(13): 134705, 2016 Apr 07.
Artículo en Inglés | MEDLINE | ID: mdl-27059583

RESUMEN

Pressure tensor components are very useful in the calculation of the tension associated with a liquid-vapor interface. In this work, we present expressions for the pressure tensor components of two-dimensional ionic fluids, modeled at the level of the primitive model. As an application, we carried out molecular dynamics simulations of liquid-vapor interfaces to calculate the line tension of the 1:1 two-dimensional ionic fluid, whose liquid-vapor coexistence curve had already been obtained in a previous work. The pressure tensor components were validated by simulating states of one phase and reproducing the scalar pressure, previously obtained from bulk simulations and reported in the literature. The effects on the line tension and the coexisting densities, originated by the choice of the Ewald parameters, the cutoff radius, and the interfacial length were also evaluated.

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