LaNi_5和LaNi_(4.7)Al_(0.3)柱内氕氘排代模拟
Simulation of Displacement Between Protium and Deuterium in LaNi_5 and LaNi_(4.7)Al_(0.3) Hydride
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摘要: 假设排代过程受表面反应控制和气相中H2与D2快速达到反应平衡,建立了流速和温度恒定条件下LaNi5和LaNi4.7Al0.3柱内氕排代氘的一维数学模型。该模型基于分子碰撞理论,考虑了分离因子对氢同位素排代的影响。模型中的气-固相同位素交换几率为可变参数,其余参数使用了文献值或实验值。计算了LaNi5和LaNi4.7Al0.7柱内氕排代氘及LaNi5柱内氘排代氕过程中流出端氢同位素各组分丰度随时间的变化关系并与实验结果进行了对照。结果表明:当同位素交换几率为2.96×107时,根据数学模型获得的排代流出曲线与实验结果具有良好一致性,该模型可恰当描述金属氢化物柱内氢同位素的排代行为。Abstract: On the assumption that displacement is controlled by surface reaction and equilibrium of H2 and D2 in gas phase is able to be established quickly, one dimensional model characterizing displacement between protium and deuterium in LaNi5 and LaNi4.7 Al0.3 hydride was applied to simulate procedure of the displacement. In the model, isotopic exchange probability is variable and other parameters come from refer ence or experiment. Composition of gas exiting in LaNi5 and LaNi4.7Al0.3 bed was calculated and compared with experimental data. Results show that effluent curves agree with experimental data while isotopic exchange probability is 2. 96×107. The model can be used to describe displacement between hydrogen isotopes in metal hydride.