Effect of oxygen concentration on ammonia combustion: A combined ReaxFF and DFT study
Wenzhe Zuo, Yonggang Qiao, Danping Yuan, Jie Hua, Cunbao Deng, Xingyu Lyu
Topics & Concepts
ReaxFFCombustionAmmoniaOxygenChemistryThermodynamicsComputational chemistryPhysical chemistryOrganic chemistryMolecular dynamicsPhysicsInteratomic potentialCombustion and Detonation ProcessesAdvanced Combustion Engine TechnologiesCombustion and flame dynamics