Molecular Dynamics of Combustion Reactions in Supercritical Carbon Dioxide. Part 5: Computational Study of Ethane Dissociation and Recombination Reactions C2H6 ⇌ CH3 + CH3

Fossil fuel oxy-combustion is an emerging technology where the habitual nitrogen diluent is replaced by high-pressure supercritical CO2 (sCO2), which increases the efficiency of energy conversion. In this study, the chemical kinetics of the combustion reaction C2H6 ⇌ CH3 + CH3 in the sCO2 environmen...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2019-06, Vol.123 (22), p.4776-4784
Hauptverfasser:	Wang, Chun-Hung, Panteleev, Sergey V, Masunov, Artëm E, Allison, Timothy C, Chang, Sungho, Lim, Chansun, Jin, Yuin, Vasu, Subith S
Format:	Artikel
Sprache:	eng
Schlagworte:	chemical reactions Chemistry INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY kinetic parameters molecules Physics redox reactions solvents
Online-Zugang:	Volltext
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