Pyrolysis of bio-derived dioxolane fuels: A ReaxFF molecular dynamics study
Hyunguk Kwon, Yuan Xuan
Topics & Concepts
ReaxFFDioxolaneAlkylPyrolysisChemistryMolecular dynamicsProduct distributionSootOxygenateOrganic chemistryPhotochemistryComputational chemistryCombustionCatalysisInteratomic potentialAdvanced Combustion Engine TechnologiesFree Radicals and AntioxidantsAtmospheric chemistry and aerosols