ReaxFF molecular dynamics study on pyrolysis of bicyclic compounds for aviation fuel
Aditya Lele, Hyunguk Kwon, Karthik Ganeshan, Yuan Xuan, Adri C. T. van Duin
Topics & Concepts
ReaxFFChemistryJet fuelArrhenius equationCombustionPyrolysisBicyclic moleculeBond cleavageComputational chemistryMolecular dynamicsActivation energyThermodynamicsOrganic chemistryCatalysisPhysicsInteratomic potentialAdvanced Combustion Engine TechnologiesHeat transfer and supercritical fluidsThermochemical Biomass Conversion Processes