CALCULATED STRUCTURE, PHASE COEXISTENCE, AND ELECTRICAL-CONDUCTIVITY OF THE ALKALI FLUIDS

Energy estimates, which depend on the local coordination of each ion, are used in grand canonical Monte Carlo simulations of a lattice-gas m odel for the alkali fluids. The non-additive interactions due to valen ce electron delocalization are a crucial feature of the model. These s elf-consistent calculations treat the structural, thermodynamic, and e lectronic aspects of these fluids in a unified manner and obtain a liq uid-vapor coexistence curve and an electrical conductivity, for the al kali family, in good agreement with experimental observations. The aut hors' previous work is improved and extended.