Theoretical Prediction of the Sublimation Behavior by Combining Ab Initio Calculations with Statistical Mechanics

We develop a theoretical model to predict the sublimation vapor pressure of pure substances. Moreover, we present a simple monoatomic molecule approximation, which reduces the complexity of the vapor pressure expression for polyatomic gaseous molecules at a convincing level of accuracy, with deviati...

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Detalles Bibliográficos
Autores principales: Hu, Yang, Wang, Kai, Müller, Michael, Wessel, Egbert, Spatschek, Robert
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10095645/
https://www.ncbi.nlm.nih.gov/pubmed/37049120
http://dx.doi.org/10.3390/ma16072826

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10095645/
https://www.ncbi.nlm.nih.gov/pubmed/37049120
http://dx.doi.org/10.3390/ma16072826

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