“…These applications include waste water purification [3], nuclear waste and CO 2 sequestration in geological formations [4][5][6], oil extraction [7], biomineralization [8], and cement and paper production [9,10]. Furthermore, heavy metals and other contaminants can be adsorbed at calcite surface and be incorporated into the calcite crystal structure [11,12]. Adsorption/desorption, dissolution, and precipitation phenomena at the calcite surface can be described by an electrostatic surface complexation model computing the behavior of the electrical double layer (EDL) at the calcite-water interface [1,2].…”