A reactive molecular dynamics study of HCN oxidation during pressurized oxy-fuel combustion
Dikun Hong, Xin Guo, Chunbo Wang
Topics & Concepts
ReaxFFChemistryCombustionDiffusionMolecular dynamicsRadicalPartial pressureAmbient pressureOxygenInorganic chemistryAnalytical Chemistry (journal)Environmental chemistryThermodynamicsOrganic chemistryComputational chemistryPhysicsInteratomic potentialCatalytic Processes in Materials ScienceCombustion and Detonation ProcessesAdvanced Combustion Engine Technologies