Coal slimes are mainly composed of coal and clay particles.The interaction energies among these particles were calculated using extended DLVO(DERJAGUIN-LANDAU-VERWEY-OVERBEEK)theory and the aggregation mechanisms were...Coal slimes are mainly composed of coal and clay particles.The interaction energies among these particles were calculated using extended DLVO(DERJAGUIN-LANDAU-VERWEY-OVERBEEK)theory and the aggregation mechanisms were analyzed based on the settling experiments for coal-kaolinite and coal-montmorillonite suspensions,respectively,under different conditions of water hardness.The results indicate that for coal-kaolinite suspensions,as the water hardness reaches 10.0mol/L,the coal particles aggregate with each other easily,and then,the coal particles may aggregate with kaolinite particles.However,no aggregation occurs between kaolinite particles.A clay platelet network is formed in coal-montmorillonite suspensions by montmorillonite particles and coal particles are captured into the network.Coal and montmorillonite particles settle completely.展开更多
The structural,energetic and electronic properties of chiral(n,m)(3≤n≤6,n/2≤m≤n)single-wall copper nanotubes(CuNTs)have been investigated by using projector-augmented wave method based on density-functional theory...The structural,energetic and electronic properties of chiral(n,m)(3≤n≤6,n/2≤m≤n)single-wall copper nanotubes(CuNTs)have been investigated by using projector-augmented wave method based on density-functional theory.The(4,3)CuNT is energetically stable and should be observed experimentally in both free-standing and tip-suspended conditions,whereas the(5,5)and(6,4)CuNTs should be observed in free-standing and tip-suspended conditions,respectively.The number of conductance channels in the CuNTs does not always correspond to the number of atomic strands comprising the nanotube.Charge density contours show that there is an enhanced interatomic interaction in CuNTs compared with Cu bulk.Current transporting states display different periods and chirality,the combined effects of which lead to weaker chiral currents on CuNTs.展开更多
基金Project(50425168)supported by the National Natural Science Foundation of ChinaProject (0100471413)supported by China Postdoctoral Science FoundationProject (201104547)supported by Pisdoctorcal Science Foundation of Jiangsu Province,China
文摘Coal slimes are mainly composed of coal and clay particles.The interaction energies among these particles were calculated using extended DLVO(DERJAGUIN-LANDAU-VERWEY-OVERBEEK)theory and the aggregation mechanisms were analyzed based on the settling experiments for coal-kaolinite and coal-montmorillonite suspensions,respectively,under different conditions of water hardness.The results indicate that for coal-kaolinite suspensions,as the water hardness reaches 10.0mol/L,the coal particles aggregate with each other easily,and then,the coal particles may aggregate with kaolinite particles.However,no aggregation occurs between kaolinite particles.A clay platelet network is formed in coal-montmorillonite suspensions by montmorillonite particles and coal particles are captured into the network.Coal and montmorillonite particles settle completely.
基金supported by the State Key Development for Basic Research of China(Grant No.2010CB631002) the National Natural Science Foundation of China(Grant Nos.51071098,11104175 and 11214216)
文摘The structural,energetic and electronic properties of chiral(n,m)(3≤n≤6,n/2≤m≤n)single-wall copper nanotubes(CuNTs)have been investigated by using projector-augmented wave method based on density-functional theory.The(4,3)CuNT is energetically stable and should be observed experimentally in both free-standing and tip-suspended conditions,whereas the(5,5)and(6,4)CuNTs should be observed in free-standing and tip-suspended conditions,respectively.The number of conductance channels in the CuNTs does not always correspond to the number of atomic strands comprising the nanotube.Charge density contours show that there is an enhanced interatomic interaction in CuNTs compared with Cu bulk.Current transporting states display different periods and chirality,the combined effects of which lead to weaker chiral currents on CuNTs.
