Cargando…
Excess enthalpy of mixing of mineral solid solutions derived from density-functional calculations
Calculations using the density-functional theory (DFT) in combination with the single defect method were carried out to determine the heat of mixing behaviour of mineral solid solution phases. The accuracy of this method was tested on the halite–sylvite (NaCl–KCl) binary, pyrope–grossular garnets (M...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer Berlin Heidelberg
2020
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7024695/ https://www.ncbi.nlm.nih.gov/pubmed/32116405 http://dx.doi.org/10.1007/s00269-020-01085-8 |