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Surface tension from molecular dynamics simulation: Adsorption at the gas‐liquid interface
Author(s) -
Mucha Martin,
Hrobárik Tomáš,
Jungwirth Pavel
Publication year - 2004
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1560/ww15-pbew-m3w4-uagn
Subject(s) - chemistry , surface tension , krypton , argon , molecular dynamics , van der waals force , adsorption , maximum bubble pressure method , chemical physics , binary number , surface (topology) , gibbs isotherm , thermodynamics , molecule , computational chemistry , organic chemistry , physics , arithmetic , mathematics , geometry
The gas‐liquid interface of binary mixtures of argon and krypton is investigated using molecular dynamics simulations. Surface tension and local pressure profiles are extracted from the simulations and cast into individual molecular contributions. The surface excess of argon is rationalized in terms of the relative strength of van der Waals interactions.