The thermodynamics of several elements at high pressure

摘要: Abstract We have used the CALPHAD-compatible equation of state (EOS) based on explicit Gibbs free energy concept for solid ten important elements: V, Nb, Ta, Mo, W (groups VB and VIB), Pd, Pt (group VIIIB) Cu, Ag Au IB). The new formulation uses SGTE data ambient pressure converges to quasi-harmonic model at limit extreme calculate as a function temperature. is available pressure–volume–temperature ( P V T ) elements can be usefully extrapolated pressures. When compared shock wave data, modeled EOS holds well, but fit not totally satisfactory in ultrahigh-pressure range. A great advantage this that it thermodynamic properties such heat capacity entropy very high temperatures