ReaxFF Study of Ethanol Oxidation in O2/N2 and O2/CO2 Environments at High Temperatures
| Autor: | Carla E. Hori, Sarah Arvelos |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Reaction mechanism
Ethanol 010304 chemical physics General Chemical Engineering General Chemistry Library and Information Sciences Combustion 01 natural sciences 0104 chemical sciences Computer Science Applications 010404 medicinal & biomolecular chemistry chemistry.chemical_compound chemistry Chemical engineering 0103 physical sciences ReaxFF |
| Zdroj: | Journal of Chemical Information and Modeling. 60:700-713 |
| ISSN: | 1549-960X 1549-9596 |
| DOI: | 10.1021/acs.jcim.9b00886 |
| Popis: | The goal of this study was to investigate the reaction mechanisms linked with the oxy-fuel combustion of ethanol (C2H6O). The oxidation of ethanol in O2/N2 and O2/CO2 environments was examined usin... |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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