Mineral cleavage nature and surface energy: Anisotropic surface broken bonds consideration

被引：98
作者：
Gao, Zhi-yong [1 ]
Sun, Wei [1 ]
Hu, Yue-hua [1 ]
机构：
[1] Cent S Univ, Sch Minerals Proc & Bioengn, Changsha 410083, Hunan, Peoples R China
来源：
TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA | 2014年 / 24卷 / 09期
基金：
中国国家自然科学基金;
关键词：
surface broken bonds; cleavage; surface energy; pyrite; sphalerite; cassiterite; rutile; hematite; DENSITY-FUNCTIONAL THEORY; ATOMISTIC SIMULATION; PYRITE; ADSORPTION; WETTABILITY; SPHALERITE; SCHEELITE; FLOTATION;
D O I：
10.1016/S1003-6326(14)63428-2
中图分类号：
TF [冶金工业];
学科分类号：
0806 ;
摘要：
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 (R-2) 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.
引用
收藏
页码：2930 / 2937
页数：8
相关论文
共 25 条
[1]   Adsorption of As(OH)3 on the (001) surface of FeS2 pyrite:: A quantum-mechanical DFT study [J].
Blanchard, Marc ;
Wright, Kate ;
Gale, Julian D. ;
Catlow, C. Richard A. .
JOURNAL OF PHYSICAL CHEMISTRY C, 2007, 111 (30) :11390-11396
[2]   THE EFFECT OF SURFACE MODIFICATION BY AN ORGANOSILANE ON THE ELECTROCHEMICAL PROPERTIES OF KAOLINITE [J].
BRAGGS, B ;
FORNASIERO, D ;
RALSTON, J ;
STSMART, R .
CLAYS AND CLAY MINERALS, 1994, 42 (02) :123-136
[3]   A computer modeling study of the competitive adsorption of water and organic surfactants at surfaces of the mineral scheelite [J].
Cooper, TG ;
de Leeuw, NH .
LANGMUIR, 2004, 20 (10) :3984-3994
[4]   A combined ab initio and atomistic simulation study of the surface and interfacial structures and energies of hydrated scheelite:: introducing a CaWO4 potential model [J].
Cooper, TG ;
de Leeuw, NH .
SURFACE SCIENCE, 2003, 531 (02) :159-176
[5]   Anisotropic surface broken bond properties and wettability of calcite and fluorite crystals [J].
Gao Zhi-yong ;
Sun Wei ;
Hu Yue-hua ;
Liu Xiao-wen .
TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA, 2012, 22 (05) :1203-1208
[6]   Role of crystal structure in flotation separation of diaspore from kaolinite, pyrophyllite and illite [J].
Hu, Y ;
Liu, X ;
Xu, ZH .
MINERALS ENGINEERING, 2003, 16 (03) :219-227
[7]   Anisotropic surface energies and adsorption behaviors of scheelite crystal [J].
Hu, Yuehua ;
Gao, Zhiyong ;
Sun, Wei ;
Liu, Xiaowen .
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2012, 415 :439-448
[8]   Density-functional theory studies of pyrite FeS2 (111) and (210) surfaces [J].
Hung, A ;
Muscat, J ;
Yarovsky, I ;
Russo, SP .
SURFACE SCIENCE, 2002, 520 (1-2) :111-119
[9]   Density-functional theory studies of pyrite FeS2(100) and (110) surfaces [J].
Hung, A ;
Muscat, J ;
Yarovsky, I ;
Russo, SP .
SURFACE SCIENCE, 2002, 513 (03) :511-524
[10]   First-principles thermodynamics of metal-oxide surfaces andinterfaces: A case study review [J].
Jiang, Yong ;
Xu, Can-hui ;
Lan, Guo-qiang .
TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA, 2013, 23 (01) :180-192
123