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Toward realistic computer modeling of paraffin-based composite materials: critical assessment of atomic-scale models of paraffins
Paraffin-based composites represent a promising class of materials with numerous practical applications such as e.g. heat storage. Computer modeling of these complex multicomponent systems requires a proper theoretical description of both the n-alkane matrix and the non-alkane filler molecules. The...
Autores principales: | Glova, Artyom D., Volgin, Igor V., Nazarychev, Victor M., Larin, Sergey V., Lyulin, Sergey V., Gurtovenko, Andrey A. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9076000/ https://www.ncbi.nlm.nih.gov/pubmed/35540183 http://dx.doi.org/10.1039/c9ra07325f |
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