The population of surface broken bonds of some typical sulfide, oxide and salt-type minerals which may belong to cubic, tetragonal, hexagonal, or orthorhombic system, were calculated. In terms of the calculation resul...The population of surface broken bonds of some typical sulfide, oxide and salt-type minerals which may belong to cubic, tetragonal, hexagonal, or orthorhombic system, were calculated. In terms of the calculation results, the cleavage natures of these minerals were analyzed, and the relationship between surface broken bonds density and surface energy was also established. The results show that the surface broken bonds properties could be used to predict the cleavage nature of most of minerals, and the predicted cleavage planes agree well with those reported in previous literature. Moreover, this work explored a rule that, surface broken bonds density is directly related to surface energy with determination coefficient（R2） of over 0.8, indicating that the former is a dominant factor to determine the latter. Therefore, anisotropic surface broken bonds density can be used to predict the stability of mineral surface and the reactivity of surface atoms.展开更多
Anisotropic surface broken bond densities of six different surfaces of calcite and three surfaces of fluorite were calculated. In terms of the calculated results, the commonly exposed surfaces of the two minerals were...Anisotropic surface broken bond densities of six different surfaces of calcite and three surfaces of fluorite were calculated. In terms of the calculated results, the commonly exposed surfaces of the two minerals were predicted and the relations between surface broken bonds densities and surface energies were analyzed. Then the anisotropic wettability of the commonly exposed surfaces was studied by means of contact angle measurement. The calculation results show that the （101^-4）, （213^-4）and （01 1^-8）surfaces for calcite and （111） for fluorite are the most commonly exposed surfaces and there is a good rectilinear relation between surface broken bond density and surface energy with correlation of determination （R^2） of 0.9613 and 0.9969, respectively. The anisotropic wettability of different surfaces after immersing in distilled water and sodium oleate solutions at different concentrations can be explained by anisotropic surface broken bond densities and active Ca sites densities, respectively.展开更多
基金Project(50831006)supported by the National Natural Science Foundation of ChinaProject(2012BAB10B05)supported by the National Key Technologies R&D Program of China
文摘The population of surface broken bonds of some typical sulfide, oxide and salt-type minerals which may belong to cubic, tetragonal, hexagonal, or orthorhombic system, were calculated. In terms of the calculation results, the cleavage natures of these minerals were analyzed, and the relationship between surface broken bonds density and surface energy was also established. The results show that the surface broken bonds properties could be used to predict the cleavage nature of most of minerals, and the predicted cleavage planes agree well with those reported in previous literature. Moreover, this work explored a rule that, surface broken bonds density is directly related to surface energy with determination coefficient（R2） of over 0.8, indicating that the former is a dominant factor to determine the latter. Therefore, anisotropic surface broken bonds density can be used to predict the stability of mineral surface and the reactivity of surface atoms.
基金Project (50834006) supported by the National Natural Science Foundation of ChinaProject (CX2011B122) supported by Hunan Provincial Innovation Foundation for PostgraduateProject (2011ybjz045) supported by Graduate Degree Thesis Innovation Foundation of Central South University
文摘Anisotropic surface broken bond densities of six different surfaces of calcite and three surfaces of fluorite were calculated. In terms of the calculated results, the commonly exposed surfaces of the two minerals were predicted and the relations between surface broken bonds densities and surface energies were analyzed. Then the anisotropic wettability of the commonly exposed surfaces was studied by means of contact angle measurement. The calculation results show that the （101^-4）, （213^-4）and （01 1^-8）surfaces for calcite and （111） for fluorite are the most commonly exposed surfaces and there is a good rectilinear relation between surface broken bond density and surface energy with correlation of determination （R^2） of 0.9613 and 0.9969, respectively. The anisotropic wettability of different surfaces after immersing in distilled water and sodium oleate solutions at different concentrations can be explained by anisotropic surface broken bond densities and active Ca sites densities, respectively.
