Vapor−Liquid Interface of the Lennard-Jones Truncated and Shifted Fluid: Comparison of Molecular Simulation, Density Gradient Theory, and Density Functional Theory
Author:
Affiliation:
1. Laboratory of Engineering Thermodynamics (LTD), TU Kaiserslautern, 67663 Kaiserslautern, Germany
2. Chemical and Biomolecular Engineering Department, Rice University, Houston 77005, Texas, United States
Funder
Welch Foundation
Horizon 2020 Framework Programme
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.8b06332
Reference109 articles.
1. Interfacial tension and adsorption in the binary system ethanol and carbon dioxide: Experiments, molecular simulation and density gradient theory
2. Interfacial and bulk properties of vapor-liquid equilibria in the system toluene + hydrogen chloride + carbon dioxide by molecular simulation and density gradient theory + PC-SAFT
3. Microstructure of inhomogeneous polyatomic mixtures from a density functional formalism for atomic mixtures
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