Hydrogen Bonding and Vaporization Thermodynamics in Hexafluoroisopropanol‐Acetone and ‐Methanol Mixtures. A Joined Cluster Analysis and Molecular Dynamic Study

Binary mixtures of hexafluoroisopropanol with either methanol or acetone are analyzed via classical molecular dynamics simulations and quantum cluster equilibrium calculations. In particular, their populations and thermodynamic properties are investigated with the binary quantum cluster equilibrium...

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Detalles Bibliográficos
Autores principales: Marchelli, Gwydyon, Ingenmey, Johannes, Hollóczki, Oldamur, Chaumont, Alain, Kirchner, Barbara
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2021
Materias:
Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9298724/
https://www.ncbi.nlm.nih.gov/pubmed/34632686
http://dx.doi.org/10.1002/cphc.202100620

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9298724/
https://www.ncbi.nlm.nih.gov/pubmed/34632686
http://dx.doi.org/10.1002/cphc.202100620

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