Interaction between low rank coal and kaolinite particles: A DFT simulation

Oats, 2010, Effect of mechanical and chemical clay removals by hydrocyclone and dispersants on coal flotation, Miner. Eng., 23, 413, 10.1016/j.mineng.2009.12.002 Arnold, 1986, The effect of clay slimes on coal flotation, part I: the nature of the clay, Int. J. Miner. Process., 17, 225, 10.1016/0301-7516(86)90058-X Zhao, 2012, The oxidation of copper sulfide minerals during grinding and their interactions with clay particles, Powder Technol., 230, 112, 10.1016/j.powtec.2012.07.016 Forbes, 2014, Decoupling rehology and slime coatings effect on the natural flotability of chalcopyrite in a clay-rich flotation pulp, Miner. Eng., 56, 136, 10.1016/j.mineng.2013.11.012 Wang, 2013, Diagnosis of the surface chemistry effects on fine coal flotation using saline water, Energy Fuels, 27, 4869, 10.1021/ef400909r Yao, 2016, Depressing effect of fine hydrophilic particles on magnesite reverse flotation, Int. J. Miner. Process., 149, 84, 10.1016/j.minpro.2016.02.013 Zhang, 2013, Effects of clay and calcium ions on coal flotation, Int. J. Min. Sci. Technol., 23, 689, 10.1016/j.ijmst.2013.08.012 Kang, 2006, Effect of ultrasonic treatment on slime characteristics, J. China Univ. Min. Technol., 35, 783 Yao, 2016, Effects of fine–coarse particles interaction on flotation separation and interaction energy calculation, Part. Sci. Technol., 34, 1 Nguyen, 2004 Liu, 2015, Understanding different roles of lignosulfonate in dispersing clay minerals in coal flotation using deionised water and saline water, Fuel, 142, 235, 10.1016/j.fuel.2014.10.082 Kusuma, 2014, Understanding interaction mechanisms between pentlandite and gangue minerals by zeta potential and surface force measurements, Miner. Eng., 69, 15, 10.1016/j.mineng.2014.07.005 Gui, 2016, Interaction forces between coal and kaolinite particles measured by atomic force microscopy, Powder Technol., 301, 349, 10.1016/j.powtec.2016.06.026 Rath, 2014, Molecular modeling studies of oleate adsorption on iron oxides, Appl. Surf. Sci., 295, 115, 10.1016/j.apsusc.2014.01.014 Zhu, 2016, Density functional theory study of α-Bromolauric acid adsorption on the α-quartz (101) surface, Miner. Eng., 92, 72, 10.1016/j.mineng.2016.03.007 Sivrikaya, 2014, Cleaning study of a low-rank lignite with DMS, Reichert spiral and flotation, Fuel, 119, 252, 10.1016/j.fuel.2013.11.061 Xia, 2015, Recent advances in beneficiation for low rank coals, Powder Technol., 277, 206, 10.1016/j.powtec.2015.03.003 Xia, 2012, Improving floatability of Taixi anthracite coal ofmild oxidation by grinding, Physicochem. Probl. Mi., 48, 393 Xia, 2012, Flotation of oxidized coal dry-ground with collector, Powder Technol., 228, 324, 10.1016/j.powtec.2012.05.043 Atesok, 2000, A new flotation scheme for a difficult-to-float coal using pitch additive in dry grinding, Fuel, 79, 1509, 10.1016/S0016-2361(00)00012-0 Ozkan, 2006, Investigation of mechanism of ultrasound on coal flotation, Int. J. Miner. Process., 81, 201, 10.1016/j.minpro.2006.07.011 Cinar, 2009, Floatability and desulfurization of a low-rank (Turkish) coal by low-temperature heat treatment, Fuel Process. Technol., 90, 1300, 10.1016/j.fuproc.2009.06.017 Lester, 2004, The effect of microwave pre-heating on five different coals, Fuel, 83, 1941, 10.1016/j.fuel.2004.05.006 Jena, 2008, Study on flotation characteristics of oxidised Indian high ash sub-bituminous coal, Int. J. Miner. Process., 87, 42, 10.1016/j.minpro.2008.01.004 Vamvuka, 2001, The effect of chemical reagents on lignite flotation, Int. J. Miner. Process., 61, 209, 10.1016/S0301-7516(00)00034-X Cebeci, 2002, The investigation of the floatability improvement of Yozgat Ayrıdam lignite using various collectors, Fuel, 81, 281, 10.1016/S0016-2361(01)00165-X Wang, 2015, Theoretical investigation of lead vapor adsorption on kaolinite surfaces with DFT calculations, J. Hazard. Mater., 295, 43, 10.1016/j.jhazmat.2015.03.020 ˇSolc, 2011, Wettability of kaolinite (001)surfaces-molecular dynamic study, Geoderma, 169, 47, 10.1016/j.geoderma.2011.02.004 Wu, 2017, Moisture removal mechanism of low-rank coal by hydrothermal dewatering: physicochemical property analysis and DFT calculation, Fuel, 187, 242, 10.1016/j.fuel.2016.09.071 Shi, 2015, An interlayer expansionmodel for counterion-intercalated montmorillonite from first-principlescalculations, Comput. Mater. Sci., 96, 134, 10.1016/j.commatsci.2014.09.013 Pradip, 2002, Rai, Design of tailor-made surfactants for industrial applications using a molecular modelling approach, Colloids Surf. A., 205, 139, 10.1016/S0927-7757(01)01153-0 Rai, 2011, A molecular dynamics study of the interaction of oleate and dodecylammonium chloride surfactants with complex aluminosilicate minerals, J. Colloid Inter. Sci., 362, 510, 10.1016/j.jcis.2011.06.069 Pradip, 2002, Molecular modeling of interactions of diphosphonic acid based surfactants with calcium minerals, Langmuir, 18, 932, 10.1021/la010625q Chen, 2017, Experimental investigation and DFT calculation of different amine/ammonium salts adsorption on kaolinite, Appl. Surf. Sci., 419, 241, 10.1016/j.apsusc.2017.04.213 Han, 2016, DFT simulation of the adsorption of sodium silicate species on kaolinite surfaces, Appl. Surf. Sci., 370, 403, 10.1016/j.apsusc.2016.02.179 Segall, 2002, First-principles simulation: ideas, illustrations and the CASTEP code, J. Phys. Condens. Mater., 14, 2717, 10.1088/0953-8984/14/11/301 Perdew, 1996, Generalized gradient approximationmade simple, Phys. Rev. Lett., 77, 3865, 10.1103/PhysRevLett.77.3865 Vanderbilt, 1990, Soft self-consistent pseudopotentials in a generalizedeigenvalue formalism, Phys. Rev. B, 4, 7892, 10.1103/PhysRevB.41.7892 Pfrommer, 1997, Relaxation of crystals with thequasi-Newton method, J. Comput. Phys., 131, 233, 10.1006/jcph.1996.5612 Young, 1988, Verification of the triclinic crystal structure of kaolinite, Clays Clay Miner., 36, 225, 10.1346/CCMN.1988.0360303 Xu, 2014, Monolayer adsorption of dodecylamine surfactants at the mica/water interface, Chem. Eng. Sci., 114, 58, 10.1016/j.ces.2014.04.005