From cellulose to kerogen: molecular simulation of a geological process-Reference-Cited by-同舟云学术

From cellulose to kerogen: molecular simulation of a geological process

Published:2017 Issue:12 Volume:8 Page:8325-8335
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Atmani Lea¹²³⁴⁵,Bichara Christophe⁶⁷⁸⁹,Pellenq Roland J.-M.¹²³⁴⁵,Van Damme Henri¹²³⁴⁵,van Duin Adri C. T.¹⁰¹¹¹²⁵,Raza Zamaan¹²³⁴⁵,Truflandier Lionel A.¹³¹⁴¹⁵¹⁶⁹,Obliger Amaël¹²³⁴⁵,Kralert Paul G.¹⁷¹⁸¹⁹²⁰,Ulm Franz J.¹²³⁴⁵,Leyssale Jean-Marc¹²³⁴⁵^ORCID

Affiliation:

1. CNRS/MIT Joint Lab “MultiScale Materials Science for Energy and Environment”

2. MIT Energy Initiative

3. Massachusetts Institute of Technology

4. Cambridge

5. USA

6. CNRS

7. Centre Interdisciplinaire des Nanosciences de Marseille

8. 13288 Marseille Cedex 9

9. France

10. Department of Mechanical and Nuclear Engineering

11. The Pennsylvania State University

12. University Park

13. Institut des Sciences Moléculaires

14. Univ. Bordeaux

15. CNRS UMR 5255

16. 33405 Talence

17. Specialist Geoscience, Upstream Development, Projects & Technology

18. Shell Global Solutions International BV

19. 2288 GS Rijswijk

20. The Netherlands

Abstract

Accelerated reactive molecular dynamics simulations reveal the complex geological conversion path of organic matter into porous carbon (kerogen) and gas.

Funder

Agence Nationale de la Recherche

Air Force Office of Scientific Research

Aix-Marseille University

National Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2017/SC/C7SC03466K

Reference60 articles.