ZrH: enthalpy of formation

2 accepted literature formation-enthalpy value(s) (model 1, DFT 1).

Systems: H–Zr

Literature values

Enthalpy of formation of ZrH reported in the literature (2)
ValuePhase as printedT (K)ClassMethodSystemSourceLocationQuote
-41.24 kJ/mol (basis unstated)γ-ZrHmodelH–Zr[1] Ukita 2007Table 2, p. 5, row 4
report
-41.4 kJ/mol-atomγ-ZrH0DFTfirst-principles calculationH–Zr[2] Zhong 2012Table 3, p. 2, row 1
report

Uncertainty budget

Components kept separate, in the value's unit (literature SCHEMA.md, UNCERTAINTY_CALIBRATION.md): effective = max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter). The method floor is the robust between-study scatter of the method class in ORCHID (calibrated) or a documented prior; printed values and printed uncertainties are unchanged.

Uncertainty budget of the literature values of ZrH
ValueUnitPrintedReadingMethod (class, basis)CompositionScatterConversionEffective
-41.24kJ/mol (basis unstated)5.000e-47.8 (model_calculated, calibrated)7.8
-41.4kJ/mol-atom0.059.966 (dft, calibrated)9.966

Sources

  1. Shusuke Ukita, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ti-H and Zr-H Binary Phase Diagrams, J. Japan Inst. Metals 71, 721-729 (2007). doi:10.2320/jinstmet.71.721
  2. Yu Zhong, Digby D. Macdonald, Thermodynamics of the Zr–H binary system related to nuclear fuel sheathing and pressure tube hydriding, Journal of Nuclear Materials 423, 87-92 (2012). doi:10.1016/j.jnucmat.2012.01.016