Reactive molecular dynamics of pyrolysis and combustion of alternative jet fuels: A ReaxFF study
Rene Gonçalves, Bruno K. V. Iha, José Atílio Fritz Fidel Rocco, Aleksey E. Kuznetsov
Topics & Concepts
ReaxFFCombustionChemistryPyrolysisReactivity (psychology)Arrhenius equationHydrocarbonMolecular dynamicsOrganic chemistryComputational chemistryActivation energyThermodynamicsPathologyPhysicsInteratomic potentialAlternative medicineMedicineHeat transfer and supercritical fluidsThermochemical Biomass Conversion ProcessesAdvanced Combustion Engine Technologies