Инд. авторы:	Kharlamov G.V., Onischuk A.A., Vosel S.V., Purtov P.A.
Заглавие:	Molecular dynamics calculations of small drops surface tension
Библ. ссылка:	Kharlamov G.V., Onischuk A.A., Vosel S.V., Purtov P.A. Molecular dynamics calculations of small drops surface tension // Colloids and Surfaces A: Physicochemical and Engineering Aspects. - 2011. - Vol.379. - Iss. 1-3. - P.10-13. - ISSN 0927-7757.
Внешние системы:	SCOPUS: 2-s2.0-79953304242; DOI: 10.1016/j.colsurfa.2010.12.002;
Реферат:	eng: In our paper the results of molecular dynamics calculations of nanodrops are presented. The density profiles, the Irving-Kirkwood pressure tensors, the chemical potentials of the systems, the equimolar radii of the drops and the radii of tension, the mechanical and thermodynamic surface tensions have been calculated. It is shown that both the mechanical and thermodynamic surface tension decrease with the decrease of the equimolar radius of the drop, and reach zero at the same R0 depending on temperature. The radii of tension surfaces also reach zero. The notion of surface tension which is used in macroscopic theory cannot be applied to small droplets with equimolar radius less than R0. © 2010 Elsevier B.V.
Ключевые слова:	Phase interfaces; Surface properties; Surface tension; Dynamics; nanodrop; Liquid-gas interfaces; Molecular dynamics; Nanodrops; Surface tension; Density profile; Liquid gas interface; Macroscopic theory; Molecular dynamics calculation; Nanodrops; Pressure tensors; Small droplets; Thermodynamic surface; Drop formation; Liquids; nanoparticle; unclassified drug; article; density; mathematical computing; molecular dynamics; physical chemistry; priority journal; simulation; surface tension; temperature measurement; Molecular dynamics; thermodynamics;
Издано:	2011
Физ. характеристика:	с.10-13