New magnesium intermetallic compounds are promising, reliable, reversible hydrogen accumulators

Z. Matysina, A. Zolotarenko, O. Zolotarenko, N. Shvachko, N. Akhanova, M. Ualkhanova, D. V. Schur, M. Gabdullin, Yuriy I. Zhirko, E. Rudakova, Yuriy O. Tarasenko, A. Zolotarenko, M. Chymbai, O. Havryliuk
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Abstract

The proposed work considers: hydrogen sorption properties of systems of magnesium intermetallic compounds with a complex cubic structure C15b, as promising, reliable, reversible hydrogen accumulators. Considered thermal processes. A statistical theory is proposed for the cubic structure C15b of composition MgRT4Hx, where R = Ce, La, Nd, Pr, Y; T = Co, Ni; 0 ≤ x ≤ 6 at phase transitions in the process of hydrogenation, taking into account pressure. The concentration dependences of the maximum values of the order parameter and a priori probabilities are established. Hydrogen solubility isopleths and isotherms are calculated and considered, and a graphical concentration dependence of the hydrogen atom ordering temperature in MgCeCo4-type crystals is created. The order-disorder transition is considered with allowance for temperature, and the process of absorption-desorption of hydrogen by the C15b structure is also studied. The equation of thermodynamic equilibrium with the calculation of free energy is derived. And also considered the graphical dependence of the value of the order parameter on temperature and pressure. The temperature dependence of hydrogen solubility in the α, β phases for the MgCeCo4 crystal is considered. The configurational heat capacity of a crystal of the MgSnCu4Hx type structure has been studied, taking into account the temperature and the order parameter. A graph of hydrogen absorption-desorption of the MgCeCo4Hx crystal has been constructed. A comparative analysis of the experimental and practical results of the absorption-desorption of hydrogen by the working fluid of the composition MgRT4Hx has been carried out.
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新型镁金属间化合物是有前途的、可靠的、可逆的储氢剂
本文研究了具有复杂立方结构C15b的镁金属间化合物体系的吸氢性能,作为一种有前途的、可靠的、可逆的储氢器。考虑热过程。提出了MgRT4Hx的立方结构C15b的统计理论,其中R = Ce, La, Nd, Pr, Y;T = Co, Ni;考虑压力,加氢过程相变时0≤x≤6。建立了阶参数最大值和先验概率的浓度依赖关系。计算并考虑了mgceco4型晶体中氢原子溶解度等容线和等温线,并建立了氢原子有序温度的浓度依赖图。考虑了温度条件下的有序-无序转变,研究了C15b结构对氢的吸附-解吸过程。导出了计算自由能的热力学平衡方程。并考虑了序参量值对温度和压力的图形依赖性。研究了MgCeCo4晶体α、β相氢溶解度的温度依赖性。研究了考虑温度和序参量的MgSnCu4Hx型晶体的组态热容。构造了MgCeCo4Hx晶体的吸氢-解吸图。对MgRT4Hx组份工质吸解吸氢的实验结果与实际结果进行了对比分析。
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