当前位置: X-MOL 学术Catal. Today › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Interpretation of negative temperature dependence of hydriding reaction in LaNi5-Mg alloys by modified Chou model
Catalysis Today ( IF 5.3 ) Pub Date : 2017-12-02 , DOI: 10.1016/j.cattod.2017.11.028
Tianxin Li , Qian Li , Hongyu Long , Kuo-Chih Chou , Qun Luo

A modified Chou model with parameters of temperature (T), initial hydrogen pressure (P0), enthalpy change (ΔH) and entropy change (ΔS) is proposed in consideration of thermodynamic driving force. The meaningful activation energy Ev can be calculated for the negative temperature dependence of hydriding reaction in hydrogen storage materials. This model is verified by the hydriding/dehydriding experimental data of (LaNi5)1−xMgx (x = 0, 0.018, 0.041, 0.063). The calculated results indicate that the hydriding kinetics of (LaNi5)1−xMgx alloys are controlled by diffusion of hydrogen atom in hydride. The addition of small amount of magnesium improves the kinetic performance of LaNi5 slightly. Furthermore, the modified Chou model was compared with the previous model that successfully explain the negative temperature depending hydrogenation reaction of Mg-based alloys. The fitting results show that the modified Chou model can describe the hydrogen absorption kinetic mechanism of negative temperature dependent materials more accurately.



中文翻译:

修正Chou模型解释LaNi 5- Mg合金中氢化反应的负温度依赖性。

考虑到热力学驱动力,提出了一种具有温度(T),初始氢压力(P 0),焓变(ΔH)和熵变(ΔS)参数的改进的Chou模型。对于储氢材料中氢化反应的负温度依赖性,可以计算出有意义的活化能E v。(LaNi 51- x Mg xx  = 0,0.018,0.041,0.063 )的氢化/脱水实验数据验证了该模型。计算结果表明(LaNi 51−的氢化动力学x Mg x合金通过氢原子在氢化物中的扩散来控制。少量镁的添加略微改善了LaNi 5的动力学性能。此外,将修改后的Chou模型与以前的模型进行了比较,该模型成功地说明了基于Mg的合金的负温度依赖性加氢反应。拟合结果表明,改进的Chou模型可以更准确地描述负温度依赖性材料的氢吸收动力学机理。

更新日期:2017-12-02
down
wechat
bug