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Density functional theory for the prediction of interfacial properties of molecular fluids within the SAFT-γ coarse-grained approach
Recently, we have proposed the SAFT-VR Mie MF DFT approach [Algaba et al., Phys. Chem. Chem. Phys., 2019, 21, 11937–11948] to investigate systems that exhibit fluid–fluid interfaces. This formalism is based on the combination of the Statistical Associating Fluid Theory for attractive potentials of v...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9241058/ https://www.ncbi.nlm.nih.gov/pubmed/35873311 http://dx.doi.org/10.1039/d2ra02162e |