| Literature DB >> 28249460 |
Aziz Ghoufi1, Patrice Malfreyt2.
Abstract
We report molecular simulations of the liquid-vapor cylindrical interface of methane. We apply the truncated Lennard-Jones potential and specific long-range corrections for the surface tension developed especially for cylindrical interfaces. We investigate the impact of the cutoff on the radial density profile, the intrinsic and long-range correction parts to the surface tension, and Tolman length. We also study the curvature dependence of the surface tension as a function of the cutoff used. In this work we shed light that both density and Tolman length are cutoff-dependent whereas the total surface tension is slightly curvature and cutoff dependent.Entities:
Year: 2017 PMID: 28249460 DOI: 10.1063/1.4976964
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488