Temperature-hydrogen pressure phase boundaries and corresponding thermodynamics for ZrCoH system

  title={Temperature-hydrogen pressure phase boundaries and corresponding thermodynamics for ZrCoH system},
  author={Huaqin Kou and Wenhua Luo and Tao Tang and Zhiyong Huang and Ge Sang and Huan Wang and Chang An Chen and Guanghui Zhang and Jinchun Bao and Xue Yan},
  journal={International Journal of Hydrogen Energy},
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 ZrCoH3 to ZrCo are respectively 103… Expand
10 Citations
An in-depth study on the thermodynamics and kinetics of disproportionation behavior in ZrCo–H systems
Hydrogen-introduced disproportionation reactions are the main reason for capacity fading in ZrCo–H systems during cycling, but their essential performances, including thermodynamics and kinetics,Expand
Enhancement of hydrogenation kinetics and thermodynamic properties of ZrCo1−x Cr x (x = 0−0.1) alloys for hydrogen storage
The vacuum arc melting method was used to prepare ZrCo1-xCrx (x=0, 0.025, 0.05, 0.075, 0.1) alloys. Afterward, the crystal structure, hydrogenation kinetics, thermodynamic properties, andExpand
A new strategy for remarkably improving anti-disproportionation performance and cycling stabilities of ZrCo-based hydrogen isotope storage alloys by Cu substitution and controlling cutoff desorption pressure
Abstract ZrCo1-xCux (x = 0–0.3) alloys for hydrogen isotope storage were prepared via induction levitation melting. The effects of partial substitution of Cu for Co on the microstructure, hydrogenExpand
Improvement on the kinetic and thermodynamic characteristics of Zr1-xNbxCo (x = 0–0.2) alloys for hydrogen isotope storage and delivery
Abstract In order to promote the application of ZrCo alloy in storage and delivery system of hydrogen isotope, Zr1-xNbxCo (x = 0–0.2) alloys were prepared by induction levitation melting method underExpand
Hydrogen storage properties of Zr2Co crystalline and amorphous alloys
Abstract To further explore the application feasibility of Zr2Co alloy in tritium-related fields, hydrogenation/dehydrogenation properties of this material of crystalline or amorphous structure,Expand
Compositional dependence of hydrogenation performance of Ti-Zr-Hf-Mo-Nb high-entropy alloys for hydrogen/tritium storage
Abstract A series of Ti-Zr-Hf-Mo-Nb high-entropy alloys with different Mo concentrations were developed as candidate materials for hydrogen/tritium storage in solid phase. The crystal structures andExpand
Exploration and optimization of ZrCo(Ti) type film for high hydrogen density and thermal stability of the hydride
Abstract Tritium target is of crucial importance in relation to the development of neutron generator apparatus. However, the prevalent Ti target is now suffering from the intricate procedures forExpand
Research Progress on the Anti-Disproportionation of the ZrCo Alloy by Element Substitution
This work systematically reviews the method of element substitution and believes that element substitution by changing the occupation of hydrogen atoms at the 8e site can improve the anti-disproportionation of the ZrCo alloy. Expand
Helium blanketing and gas circulation effect of hydriding reaction with ZrCo
Abstract The tritium storage bed receives and supplies tritium gas for fusion facilities. Inert gases, such as helium-3, which is produced by tritium beta decay, disturb the absorption behavior ofExpand
First-principles investigation on the role of interstitial site preference on the hydrogen-induced disproportionation of ZrCo and its doped alloys
Abstract There are two phase structures involved in ZrCo hydrides (ZrCoHx). When x ≤ 1, the α-phase hydride is generated when hydrogen atoms occupy the 3c and 12i sites. When 1


Hydrogen sorption–desorption studies on ZrCo–hydrogen system
The ZrCo–H2 system was investigated in this study owing to its importance as a suitable candidate material for storage, supply, and recovery of hydrogen isotopes. Desorption hydrogenExpand
Reversible disproportionation of ZrCo under high temperature and hydrogen pressure
Abstract Chemical behavior of an intermetallic compound ZrCo with hydrogen at high temperature region was studied with respect to application utilizing the reversible hydrogenation. While ZrCoExpand
Structural characteristics and mechanism of hydrogen-induced disproportionation of the ZrCo alloy
The intermetallic compound ZrCo was prepared, and its hydrogen-induced disproportionation in hydrogen desorption processes was investigated. The hydrogenation-dehydrogenation thermodynamics of theExpand
Investigation of hydrogen isotope effect on storage properties of Zr–Co–Ni alloys
Abstract The deuterium desorption pressure-composition isotherms (PCIs) of ZrCo1−xNix-D2 (x = 0, 0.1, 0.2 and 0.3) systems were generated in this study in the temperature range of 524–603 K usingExpand
Structural, electronic and thermodynamic properties of ZrCo and ZrCoH3: A first-principles study
Abstract The ZrCo intermetallic is considered to be strategically important for hydrogen isotope storage and its use in the International Thermonuclear Experimental Reactor (ITER) system. Here weExpand
Effects of temperature and hydrogen pressure on the activation behavior of ZrCo
Abstract Fast and efficient activation of ZrCo is beneficial to promote its application to hydrogen isotopes storage in the fusion energy field. To obtain the optimum activation procedures, theExpand
Hydrogen-induced disproportionation of Zr2M (M=Fe, Co, Ni) and reproportionation
Abstract Hydrogen induced disproportionation and reproportionation for Zr2Fe, Zr2Co and Zr2Ni were studied by means of volumetric measurements of hydrogen absorption and desorption, and X-rayExpand
Equilibrium hydrogen pressure on the solid solutions of ZrCoHfCo intermetallic compounds
Systems of hydrogen gas and solid solutions of intermetallic compounds of ZrCo and HfCo were investigated. Both compounds form very similar cubic structures and the ingot obtained by arc melting withExpand
Stability of ZrCo and ZrNi to Heat Cycles in Hydrogen Atmosphere
ABSTRACTThe stability of ZrNi and ZrCo to heat cycles in hydrogen atmosphere was studied through changes in absorption-desorption characteristics and in crystallo-graphic structures. ZrCo easily lostExpand
Density functional study of vibrational, thermodynamic and elastic properties of ZrCo and ZrCoX3 (X = H, D and T) compounds
Abstract The dynamical, thermodynamic and elastic properties of ZrCo and its hydrides ZrCoX3 (X = H, D and T) are reported. While the electronic structure calculations are performed using plane waveExpand