Anisotropic surface properties of calcite: A consideration of surface broken bonds

被引:113
作者
Gao, Zhiyong [1 ]
Li, Chengwei [1 ]
Sun, Wei [1 ]
Hu, Yuehua [1 ]
机构
[1] Cent South Univ, Sch Minerals Proc & Bioengn, Changsha 410083, Hunan, Peoples R China
基金
中国博士后科学基金; 中国国家自然科学基金;
关键词
Calcite; Surface energy; Surface broken bonds; Anisotropy; Wettability; Oleate; ALKYL DICARBOXYLATE REAGENTS; ATOMISTIC SIMULATION; SELECTIVE FLOTATION; OLEATE ADSORPTION; FREE-ENERGY; AB-INITIO; SCHEELITE; FLUORITE; INTERFACES; MORPHOLOGY;
D O I
10.1016/j.colsurfa.2017.01.061
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The anisotropic physicochemical properties of calcite, including cleavage nature, surface (free) energy, surface relaxation degree, wettability and adsorption behaviour, were revisited in this paper based on the surface structures and surface broken bonds reported previously. The relationships between these surface properties were also discussed. The analysis indicated that the positive relationship between the density of surface broken bonds and the surface energy of calcite was established, and the former could be used to predict the cleavage nature, commonly exposed surfaces and the degree of surface relaxation. The distribution characteristic and the number of broken (or unsaturated) bonds of surface Ca atoms can be used to explain the anisotropic surface wetting and adsorption behaviour of calcite. This review demonstrated that surface broken bonds could be a fast way to study the surface properties of minerals and materials. (C) 2017 Published by Elsevier B.V.
引用
收藏
页码:53 / 61
页数:9
相关论文
共 54 条
[1]   Three study cases of growth morphology in minerals: Halite, calcite and gypsum [J].
Aquilano, Dino ;
Otalora, Fermin ;
Pastero, Linda ;
Manuel Garcia-Ruiz, Juan .
PROGRESS IN CRYSTAL GROWTH AND CHARACTERIZATION OF MATERIALS, 2016, 62 (02) :227-251
[2]   Functional Group Adsorption on Calcite: I. Oxygen Containing and Nonpolar Organic Molecules [J].
Ataman, E. ;
Andersson, M. P. ;
Ceccato, M. ;
Bovet, N. ;
Stipp, S. L. S. .
JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 120 (30) :16586-16596
[3]   The free energy density of a crystal: calcite (CaCO3) as a case of study [J].
Bruno, Marco .
CRYSTENGCOMM, 2015, 17 (10) :2204-2211
[4]   New Estimates of the Free Energy of Calcite/Water Interfaces for Evaluating the Equilibrium Shape and Nucleation Mechanisms [J].
Bruno, Marco ;
Massaro, Francesco Roberto ;
Pastero, Linda ;
Costa, Emanuele ;
Rubbo, Marco ;
Prencipe, Mauro ;
Aquilano, Dino .
CRYSTAL GROWTH & DESIGN, 2013, 13 (03) :1170-1179
[5]   (10.4), (01.8), (01.2), and (00.1) Twin Laws of Calcite (CaCO3): Equilibrium Geometry of the Twin Boundary Interfaces and Twinning Energy [J].
Bruno, Marco ;
Massaro, Francesco Roberto ;
Rubbo, Marco ;
Prencipe, Mauro ;
Aquilano, Dino .
CRYSTAL GROWTH & DESIGN, 2010, 10 (07) :3102-3109
[6]   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
[7]   Adsorption of methanoic acid onto the low-index surfaces of calcite and aragonite [J].
Cooper, TG ;
De Leeuw, NH .
MOLECULAR SIMULATION, 2002, 28 (6-7) :539-556
[8]   A computer modeling study of the inhibiting effect of organic adsorbates on calcite crystal growth [J].
de Leeuw, NH ;
Cooper, TG .
CRYSTAL GROWTH & DESIGN, 2004, 4 (01) :123-133
[9]   Surface structure and morphology of calcium carbonate polymorphs calcite, aragonite, and vaterite: An atomistic approach [J].
de Leeuw, NH ;
Parker, SC .
JOURNAL OF PHYSICAL CHEMISTRY B, 1998, 102 (16) :2914-2922
[10]   Atomistic simulation of the effect of molecular adsorption of water on the surface structure and energies of calcite surfaces [J].
deLeeuw, NH ;
Parker, SC .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1997, 93 (03) :467-475