title: Free energy of adsorption of water and calcium on the [10 1 4] calcite surface.
abstract: Molecular dynamics simulations of the calcite-water interface have shown that the free energy of adsorption of water is relatively small compared to the previously calculated enthalpy of adsorption implying a large entropy change and that the free energy profile of a calcium adsorbing on the surface correlates with the solvent density; these calculations allow us to begin to address the rates of adsorption and desorption which are essential for studying growth and dissolution.
authors.affiliation: Department of Chemistry, University of Bath, Claverton Down, Bath, UKBA2 7AY.
authors.forename: Sebastien
authors.initials: S
authors.lastname: Kerisit
authors.forename: Stephen C
authors.initials: SC
authors.lastname: Parker