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From cellulose to kerogen: molecular simulation of a geological process
The process by which organic matter decomposes deep underground to form petroleum and its underlying kerogen matrix has so far remained a no man’s land to theoreticians, largely because of the geological (Myears) timescale associated with the process. Using reactive molecular dynamics and an acceler...
Autores principales: | Atmani, Lea, Bichara, Christophe, Pellenq, Roland J.-M., Van Damme, Henri, van Duin, Adri C. T., Raza, Zamaan, Truflandier, Lionel A., Obliger, Amaël, Kralert, Paul G., Ulm, Franz J., Leyssale, Jean-Marc |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Royal Society of Chemistry
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5858082/ https://www.ncbi.nlm.nih.gov/pubmed/29619179 http://dx.doi.org/10.1039/c7sc03466k |
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