Molecular insights into bituminous coals pyrolysis: a combined study using spectroscopic techniques, thermogravimetric-mass spectrometry and ReaxFF molecular dynamics simulations
Zhen Sun, Kejiang Li, Yushan Bu, Zeng Liang, Chunhe Jiang, Jianliang Zhang
Topics & Concepts
Thermogravimetric analysisReaxFFMolecular dynamicsMass spectrometryPyrolysisChemistrySpectroscopyMaterials scienceComputational chemistryOrganic chemistryChromatographyPhysicsQuantum mechanicsInteratomic potentialThermochemical Biomass Conversion ProcessesPetroleum Processing and AnalysisCoal Combustion and Slurry Processing