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Temperature-hydrogen pressure phase boundaries and corresponding thermodynamics for ZrCoH system
Authors:Huaqin Kou  Wenhua Luo  Tao Tang  Zhiyong Huang  Ge Sang  Huan Wang  Changan Chen  Guanghui Zhang  Jinchun Bao  Yan Xue
Affiliation:1. Institute of Materials, China Academy of Engineering Physics, P. O. Box 9071-12, Mianyang 621907, China;2. Science and Technology on Surface Physics and Chemistry Laboratory, P. O. Box 9072-35, Mianyang 621908, China;3. State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou 310027, China
Abstract:The thermodynamically and kinetically stable regions of the temperature–H2 pressure phase boundaries for the ZrCo/>H system were established using the Temperature-Concentration-Isobar (TCI) method. Based on this, the enthalpy change and entropy change values of dehydrogenation and disproportionation reactions were successfully obtained. The average enthalpy change (ΔH) and entropy change (ΔS) estimated from the phase boundaries for dehydrogenation of ZrCoH<sub>3</sub> to ZrCo are respectively 103.07 kJ mol<sup>?1</sup>H<sub>2</sub> and 148.85 J mol<sup>?1</sup> H<sub>2</sub> K<sup>?1</sup>, which are well agreement with the data reported in literature. The average ΔH and ΔS were estimated to be ?120.91 kJ mol<sup>?1</sup>H<sub>2</sub> and -149.32 J mol<sup>?1</sup> H<sub>2</sub> K<sup>?1</sup> for the disproportionation of ZrCoH<sub>3</sub>, whereas the ΔH and ΔS were calculated to be ?84.6 kJ mol<sup>?1</sup>H<sub>2</sub> and -92.29 J mol<sup>?1</sup> H<sub>2</sub> K<sup>?1</sup> for disproportionation of ZrCo. In addition, it was found from the established phase boundaries that the anti-disproportionation property of ZrCo alloy can be enhanced if the phase boundaries of hydrogenation/dehydrogenation are far away from the phase boundaries of disproportionation by adjusting the thermodynamics. Meanwhile, it is possible to keep ZrCo away from disproportionation even at high temperature of 650 °C under hydrogen atmosphere, if the temperature-H<sub>2</sub> pressure trajectory is carefully controlled without crossing the phase boundaries of disproportionation. Therefore, the established phase boundaries can be used as a guide to the eye avoiding disproportionation and improving the anti-disproportionation property of ZrCo alloy.</td> </tr> <tr> <td align=
Keywords:Fusion energy  Hydrogen isotope storage  ZrCo alloy  Disproportionation  Thermodynamics
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