Open AccessMolecular Dynamics Study of Combustion Reactions in a Supercritical Environment. Part 1: Carbon Dioxide and Water Force Field Parameters Refitting and Critical Isotherms of Binary Mixtures
Author(s) -
Artëm E. Masunov,
Arseniy A. Atlanov,
Subith Vasu
Publication year - 2016
Publication title -
energy and fuels
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.861
H-Index - 186
eISSN - 1520-5029
pISSN - 0887-0624
DOI - 10.1021/acs.energyfuels.6b01927
Subject(s) - reaxff , carbon dioxide , chemistry , combustion , supercritical carbon dioxide , supercritical fluid , nitrogen , thermodynamics , molecular dynamics , chemical engineering , organic chemistry , computational chemistry , physics , interatomic potential , engineering
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