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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Materias: | |
| 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 |