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Blending effect between n-decane and toluene in oxidation: a ReaxFF study

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1 Published in 2018 at "Molecular Simulation"

DOI: 10.1080/08927022.2017.1334882

Abstract: Abstract We studied dependency of toluene oxidation-blended n-decane on blending ratio and temperature using the reactive molecular dynamics (RMD) simulations with the newly developed reactive force field (ReaxFF). Different initial reaction pathways of toluene were… read more here.

Keywords: toluene; toluene oxidation; decane; blending effect ... See more keywords