Insight into the kinetic mechanism of the first-step dehydrogenation of Mg(AlH4)(2)
Insight into the kinetic mechanism of the first-step dehydrogenation of Mg(AlH4)(2)
复制标题
深入探讨Mg(AlH4)(2)第一步脱氢反应的动力学机理
DOI：
10.1016/j.scriptamat.2016.12.015
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发表时间：
2017
影响因子：
6
通讯作者：
Li Qian
中科院分区：
文献类型：
--
作者：
Pang Yuepeng;Li Qian
采用综合动力学分析方法研究了镁（AlH4）2第一步脱氢的详细机理。通过等温和非等温实验曲线的同时拟合，得到了成核和生长的反应模式（几何收缩或成核-生长-冲击）、固有速率常数、维数、速率控制步长和活化能。对原始、高能球磨和tif4掺杂Mg(AlH4)2的动力学参数进行解释和比较，有助于揭示Mg(AlH4)2的脱氢机理，包括Mg(AlH4)2如何分解成MgH2、Al和H2，以及高能球磨和tif4掺杂为什么能显著提高脱氢性能。
The detailed mechanism of the first-step dehydrogenation of Mg(AlH4)2is investigated by using a comprehensive kinetic analysis. The reaction mode (geometrical contraction or nucleation-growth-impingement), intrinsic rate constant, dimensionality, rate-controlling step and activation energies of nucleation and growth are obtained from the simultaneous fitting of isothermal and non-isothermal experimental curves. The interpretation and comparison of these kinetic parameters for the pristine, high-energy ball milled and TiF4doped Mg(AlH4)2help reveal the mechanism of the dehydrogenation of Mg(AlH4)2, including how Mg(AlH4)2decomposes to MgH2, Al and H2, and why high-energy ball milling and TiF4doping can significantly improve the dehydrogenation properties.