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Reactive force fields for modeling oxidative degradation of organic matter in geological formations
In an attempt to better explore organic matter reaction and properties, at depth, to oxidative fluid additives, we have developed a new ReaxFF potential to model and describe the oxidative decompositions of aliphatic and aromatic hydrocarbons in the presence of the oxychlorine ClO(n)(−) oxidizers. B...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9040638/ https://www.ncbi.nlm.nih.gov/pubmed/35479567 http://dx.doi.org/10.1039/d1ra04397h |