Systematic exploration of the interactions between Fe-doped kaolinite and coal based on DFT calculations
Jun Chen, Fanfei Min, Lingyun Liu, Chuanchuan Cai
Topics & Concepts
KaoliniteDensity functional theoryCoal slurryValence (chemistry)ChemistryAdsorptionMössbauer spectroscopyHydrogen bondCrystal structureCoalMaterials scienceInorganic chemistryPhysical chemistryCrystallographyComputational chemistryMineralogyMoleculeOrganic chemistryClay minerals and soil interactionsCoal and Its By-productsSoil and Unsaturated Flow