Calculated interfacial tensions for the calcite cleavage rhombohedron and water

Abstract

The interfacial tension for the calcite cleavage rhombohedron and water has been calculated from Coulomb potentials of lattice slices, taking into account the polarizability of water. The water layer is considered as a crystalline structure. It appears that the interfacial tension as measured from nucleation experiments does not refer to the calcite-water, but to the interface between water and a calcite surface covered with an either complete or incomplete monolayer of water. In the models used the calcite-water interface has a negative interfacial tension of -556 mJ m -2, whereas the completely hydrated surface-water interface has an interfacial tension of 49 mJ m -2.