High-Temperature Thermodynamic Functions for Zirconium and Unsaturated Zirconium Hydrides

Abstract

Giving greatest weight to the experimentally measured highest decomposition pressures and the enthalpies in one-phase fields, thermodynamically interconsistent integral and differential enthalpies (heat contents), heat capacities, entropies, and Gibbs free energies are derived for the crystalline one- and two-phase fields of the zirconium-hydrogen system for all stoichiometric compositions from Zr to ZrH1.25 and over the temperature range 298.15 to 1,200 °K. These properties are derived in analytical form, and in most cases are represented by numerical equations, with tabulation for zirconium and H/Zr atom ratios of 0.25, 0.50, 0.57, 0.75, 1.00, and 1.25. Most of the unique phase-field boundaries which are consistent with the derived properties are located and are compared with those previously reported. In the Zr-H system the enthalpies are shown to relate certain properties at different compositions as well as at different temperatures. Some of the various data show good interconsistency, while others reveal discrepancies which are discussed critically.