A tensorial fundamental measure density functional theory for the description of adsorption in substrates of arbitrary three-dimensional geometry
Author:
Affiliation:
1. Department of Chemical Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ, United Kingdom
2. Université de Pau et des Pays de l’Adour, E2S UPPA, CNRS, Total, LFCR, Anglet, France
Funder
E2S UPPA
Engineering and Physical Sciences Research Council
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0010974
Reference51 articles.
1. The nature of the liquid-vapour interface and other topics in the statistical mechanics of non-uniform, classical fluids
2. Free-energy model for the inhomogeneous hard-sphere fluid mixture and density-functional theory of freezing
3. Scaled Particle Theory of Fluid Mixtures
4. Fundamental measure theory for hard-sphere mixtures: a review
5. Effect of structural considerations on the development of free energy functionals for the square-well fluid
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