Molecular dynamics simulation and experimental research on the oxidation reaction of methyl linoleate at low oxygen and high temperature
Meng Sui, Fashe Li, Shuang Wang, Hua Wang
Topics & Concepts
ReaxFFChemistryPyrolysisOxygenPeroxideCombustionDecarboxylationDouble bondReaction mechanismMolecular dynamicsDecompositionActivation energyPhotochemistryOrganic chemistryComputational chemistryCatalysisInteratomic potentialAdvanced Combustion Engine TechnologiesBiodiesel Production and ApplicationsThermochemical Biomass Conversion Processes