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The accuracy of standard enthalpies and entropies for phases of petrological interest derived from density-functional calculations
The internal energies and entropies of 21 well-known minerals were calculated using the density functional theory (DFT), viz. kyanite, sillimanite, andalusite, albite, microcline, forsterite, fayalite, diopside, jadeite, hedenbergite, pyrope, grossular, talc, pyrophyllite, phlogopite, annite, muscov...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer Berlin Heidelberg
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6208725/ https://www.ncbi.nlm.nih.gov/pubmed/30416201 http://dx.doi.org/10.1007/s00410-018-1514-x |