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We examine the applicability of various model profiles for the liquid/vapor interface by X-ray reflectivities on water and ethanol and their mixtures at room temperature. Analysis of the X-ray reflecivities using various density profiles shows an error-function like profile is the most adequate within experimental error. Our finding, together with recent observations from simulation studies on liquid surfaces, strongly suggest that the capillary-wave dynamics shapes the interfacial density profile in terms of the error function.
Ice-water, water-vapor interfaces and ice surface are studied by molecular dynamics simulations with the SPC/E model of water molecules having the purpose to estimate the profiles of electrostatic potential across the interfaces. We have proposed a m
The study of liquid-liquid phase transition has attracted considerable attention. One interesting example of such phenomenon is phosphorus for which the existence a first-order phase transition between a low density insulating molecular phase and a c
Previous research has indicated the possible existence of a liquid-liquid critical point (LLCP) in models of silica at high pressure. To clarify this interesting question we run extended molecular dynamics simulations of two different silica models (
Recently it was shown that the WAC model for liquid silica [L. V. Woodcock, C. A. Angell, and P. Cheeseman, J. Chem. Phys. 65, 1565 (1976)] is remarkably close to having a liquid-liquid critical point (LLCP). We demonstrate that increasing the ion ch
Based on the method of collective variables we develop the statistical field theory for the study of a simple charge-asymmetric $1:z$ primitive model (SPM). It is shown that the well-known approximations for the free energy, in particular DHLL and OR