Transformation simulation of N-containing functional groups in coal pyrolysis and combustion processes by using ReaxFF
Chunjing Liu, Dikun Hong, Wenchang Zhao, Fei Zheng, Weiran Lyu, Jianyi Lu
Topics & Concepts
NOxChemistryReaxFFPyridineCombustionPyrolysisCoalChemical engineeringOrganic chemistryMoleculeHydrogen bondEngineeringThermochemical Biomass Conversion ProcessesCoal Properties and UtilizationOil, Gas, and Environmental Issues