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 ac...
Main Authors: | Atmani, Lea, Bichara, Christophe, Van Damme, Henri, van Duin, Adri C. T., Raza, Zamaan, Truflandier, Lionel A., Obliger, Amaël, Kralert, Paul G., Leyssale, Jean-Marc, Pellenq, Roland Jm, Ulm, Franz-Josef |
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Other Authors: | Massachusetts Institute of Technology. Department of Civil and Environmental Engineering |
Format: | Article |
Published: |
Royal Society of Chemistry (RSC)
2018
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Online Access: | http://hdl.handle.net/1721.1/117470 https://orcid.org/0000-0001-5559-4190 https://orcid.org/0000-0002-7089-8069 |
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