Surface Broken Bonds: A Fast Way to Start Mineral Chemistry Studies

"Crushing and grinding are the prerequisite processes in many industries, such as minerals processing and powder technology. During crushing and grinding, minerals will cleave or fracture along the directions by broken the interlayer bonds (e.g., ionic bonds), generating some commonly exposed surfaces. The broken (or dangling) bonds at the generated surface makes the surface more active and determine the reactivity of the surface. In this work, the population of broken (or dangling) bonds on commonly exposed surfaces of fluorite mineral (a chosen model mineral) was calculated. Based on the calculated broken bonds information, the anisotropic surface reactivity of fluorite such as surface energy, surface relaxation, dissolution, wettability, surface charge and adsorbability, were discussed. The results show that the surface broken bonds density, which is positively related to the surface energy, can be used to predict the cleavage nature, surface relaxation degree and surface stability of fluorite crystal. The distribution characteristic and the number of broken (or unsaturated) bonds of surface active atoms (like Ca for fluorite crystal) can be used to predict and explain the anisotropic wettability, surface charge and adsorption mode and strength of organic molecules on different commonly exposed surfaces. It is easy to conclude that the calculation of surface broken bonds can serve as a fast and accurate way to start the mineral chemistry studies. These findings will be helpful to the mineral/material chemistry research in related interfacial science communities.INTRODUCTIONGrinding for mineral liberation is a prerequisite for a successful flotation separation. Also grinding for size reduction is a prior process for a favorable powder technology. During the grinding process, the minerals / materials will cleave and fracture along certain crystal directions with relatively weak interlayer chemical bonds1 to form a number of common exposed surfaces. Exposed surfaces are the outer boundary of a solid substance. In the mineral / material block, the bonding orbital of the atoms is filled with electrons and the atoms are in a steady state. Atoms on these exposed surfaces appear to show dangling bonds (or broken bonds) by losing chemical bonds to adjacent atoms in the previous block. Therefore, surface broken bonds serves as an initial property of a fresh surface. The lattice arrangement and crystal orientations causes differences in the number of dangling bonds on each exposed surface, i.e., anisotropic surface broken bonds2. The anisotropic dangling bonds enable the exposed surfaces to show varying degrees of surface reactivity (including surface energy, surface charge, surface relaxation, dissolution, wettability and adsorption behavior), known as anisotropic surface reactivity."