Application of experiments and density function theory on the formation mechanism of NH3 during O2/Ar and O2/H2O combustion process of demineralized coals
Lei Zhang, Rui Sun, Zhuozhi Wang, Wenkun Zhu, Xingyi Wang, Hongliang Qi
Topics & Concepts
CombustionChemistryHomogeneousDensity functional theoryNOxCoalCoal combustion productsIsothermal processReaction mechanismProcess (computing)Chemical engineeringComputational chemistryThermodynamicsPhysical chemistryCatalysisOrganic chemistryComputer scienceEngineeringOperating systemPhysicsThermochemical Biomass Conversion ProcessesCatalytic Processes in Materials ScienceAtmospheric chemistry and aerosols