Vapor−Liquid Interface of the Lennard-Jones Truncated and Shifted Fluid: Comparison of Molecular Simulation, Density Gradient Theory, and Density Functional Theory | Zendy

Simon Stephan | Zendy; Jinlu Liu | Zendy; Kai Langenbach | Zendy; Walter G. Chapman | Zendy; Hans Hasse | Zendy

Open Access

Vapor−Liquid Interface of the Lennard-Jones Truncated and Shifted Fluid: Comparison of Molecular Simulation, Density Gradient Theory, and Density Functional Theory

Author(s) -

Simon Stephan,

Jinlu Liu,

Kai Langenbach,

Walter G. Chapman,

Hans Hasse

Publication year - 2018

Publication title -

the journal of physical chemistry c

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.401

H-Index - 289

eISSN - 1932-7455

pISSN - 1932-7447

DOI - 10.1021/acs.jpcc.8b06332

Subject(s) - density functional theory , helmholtz free energy , surface tension , molecular dynamics , triple point , thermodynamics , lennard jones potential , critical point (mathematics) , layering , equation of state , perturbation theory (quantum mechanics) , vapor pressure , radius , density gradient , chemistry , materials science , physics , computational chemistry , quantum mechanics , geometry , mathematics , botany , computer security , biology , computer science

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