Insights into the oxygen-containing groups transformation during coal char gasification in H2O/CO2 atmosphere by using ReaxFF reactive force field
Qifu Luo, Yonghui Bai, Juntao Wei, Xudong Song, Peng Lv, Jiaofei Wang, Weiguang Su, Guanghua Lu, Guangsuo Yu
Topics & Concepts
ReaxFFCharChemistryOxygenCoalRadicalChemical engineeringAtmosphere (unit)Wood gas generatorOrganic chemistryMoleculeThermodynamicsHydrogen bondEngineeringPhysicsThermochemical Biomass Conversion ProcessesThermal and Kinetic AnalysisSubcritical and Supercritical Water Processes