Thermal decomposition process in algaenan of Botryococcus braunii race L. Part 2: Molecular dynamics simulations using the ReaxFF reactive force field-Reference-Cited by-同舟云学术

Thermal decomposition process in algaenan of Botryococcus braunii race L. Part 2: Molecular dynamics simulations using the ReaxFF reactive force field

Published:2009-03 Issue:3 Volume:40 Page:416-427
ISSN:0146-6380
Container-title:Organic Geochemistry
language:en
Short-container-title:Organic Geochemistry

Author:

Salmon Elodie,van Duin Adri C.T.,Lorant François,Marquaire Paul-Marie,Goddard William A.

Publisher

Elsevier BV

Subject

Geochemistry and Petrology

Reference38 articles.

1. Closed pyrolyses of the isoprenoid algaenan of Botryococcus braunii, L race: Geochemical implications for derived kerogens;Behar;Geochimica et Cosmochimica Acta,1995

2. Molecular dynamics with coupling to an external bath;Berendsen;The Journal of Chemical Physics,1984

3. A high molecular weight complex lipid, aliphatic polyaldehyde tetraterpenediol polyacetal from Botryococcus braunii (L race);Berthéas;Phytochemistry,1999

4. Empirical potential for hydrocarbons for use in simulating the chemical vapour deposition of diamond films;Brenner;Physical Review B,1990

5. Multiparadigm modeling of dynamical crack propagation in silicon using a reactive force field;Buehler;Physical Revue Letters,2006

Cited by 104 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Advances in developing cost-effective carbon fibers by coupling multiscale modeling and experiments: A critical review;Progress in Materials Science;2024-12

2. Lipid composition and algaenan structure of Botryococcus braunii race L revealed by sequential stepwise pyrolysis;Journal of Analytical and Applied Pyrolysis;2024-09

3. Experimental and ReaxFF MD study on the release characteristics of gaseous nitrogen during pressurized bituminous coal gasification;Fuel;2024-07

4. Evolution and generation mechanism of retained oil in lacustrine shales: A combined ReaxFF-MD and pyrolysis simulation perspective;Petroleum Science;2024-07

5. Computational and experimental approaches into molecular structure mechanism of ZQV coal and the COx gas releases during pyrolysis;Powder Technology;2024-04