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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...

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Veröffentlicht in:Chem Sci
Hauptverfasser: 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
Format: Artigo
Sprache:Inglês
Veröffentlicht: Royal Society of Chemistry 2017
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Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5858082/
https://ncbi.nlm.nih.gov/pubmed/29619179
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c7sc03466k
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