Initiation mechanisms and kinetics of the combustion of cyclopentane and cyclopentene from ReaxFF molecular dynamics
Eric B. Lindgren, João G. S. Monteiro, Anderson Rouge dos Santos, Felipe P. Fleming, André G. H. Barbosa
Topics & Concepts
CyclopentaneCyclopenteneReaxFFChemistryCombustionRadicalHomolysisComputational chemistryMolecular dynamicsHydrocarbonDegree of unsaturationOlefin fiberPhotochemistryEthyleneOrganic chemistryPolymerInteratomic potentialCatalysisAdvanced Combustion Engine TechnologiesCatalysis and Oxidation ReactionsCatalytic Processes in Materials Science