A density functional calculation of the liquid-solid phase diagram of a charged-hard-spheres model of a salt

The density functional theory of freezing is applied to the calculation of the liquid-solid phase diagram of the restricted primitive model of a molten salt. As the temperature is lowered, the structure of the solid changes from a disordered, face-centred cubic (FCC) structure to a caesium chloride (CsCl) structure, with a triple point at about 2500 K for ions of diameter 3 AA.