Liquid-Vapor Critical Point and Coexistence Boundary of Platinum From Ab Initio Simulation

Platinum (Pt) is a highly unreactive transition metal with a high melting point. Alongside its everyday uses, Pt’s properties make it suitable for use in harsh environments such as high temperature experiments. Previous literature [High Temp.- High Press., V. 46, No. 4-5, p. 367 (2017); J. Phys. Chem. B 2016, 120, 23, 5255–5261] have reported a wide range of values for the critical properties of Pt. Here we present the liquid-vapor critical point and the coexistence boundary of Pt, comparing these to previously reported results, both theoretical and experimental. The critical point is estimated from an equation of state fit to molecular dynamic simulation data. We also present the high-temperature electrical conductivity and optical properties of Pt. SNL is managed and operated by NTESS under DOE NNSA contract DE-NA0003525