ReaxFF study on combustion mechanism of ethanol/nitromethane
Sign Up to like & getrecommendations! Published in 2021 at "Fuel"
DOI: 10.1016/j.fuel.2021.121221
Abstract: Abstract To gain an atomistic-level insight into the thermal and chemical responses of ethanol/nitromethane fuel, reactive molecular dynamics simulations were performed to investigate their high-temperature oxidation. The initial reaction scheme of ethanol/nitromethane oxidation was established… read more here.
Keywords: oxidation; mechanism ethanol; ethanol nitromethane; combustion ... See more keywords
Insight into the mechanism of ethanol steam reforming on TM/Mo6S8 clusters catalysts: A theoretical investigation
Sign Up to like & getrecommendations! Published in 2019 at "International Journal of Hydrogen Energy"
DOI: 10.1016/j.ijhydene.2019.07.102
Abstract: Abstract Density functional theory (DFT) calculations were carried out to investigate the reaction mechanism of ethanol steam reforming (ESR) reaction on TM/Mo6S8 (TM = Rh, Ir) clusters. We investigated the reaction mechanism of TM/Mo6S8 catalyzed ESR by… read more here.
Keywords: ethanol steam; mechanism ethanol; mo6s8; steam reforming ... See more keywords