氢在金属熔体中的溶解度计算模型

A model for calculating hydrogen solubility in molten metals

通过文献调研,总结了氢在不同金属熔体中溶解度变化规律。通过比较不同影响因素的作用,指出氢与金属熔体的电子相互作用是决定氢在金属熔体中溶解度的主要因素。基于近自由电子模型,提出了表征这种电子相互作用和计算氢在金属熔体中溶解度的金属熔体有效电荷密度模型。结果表明:氢在过渡族金属熔体中的溶解度远高于在其他金属熔体中的溶解度,而且随着原子序数的变化呈现有规律的变化,金属熔体有效电荷密度模型很好地解释了这种变化规律。

The variations of hydrogen solubility in different molten metals were compared and analyzed based on literature research.Comparison of different effects on hydrogen solubility in molten metals shows that the electron interaction between hydrogen and molten metal is the major factor in determining hydrogen solubility in liquid metals.A model of effective charge density of molten metals was then proposed using the nearly-free-electron theory to characterize the electron interaction and calculate hydrogen solubility in liquid metals.The results show that the hydrogen solubility in liquid transition metals is much higher than those in other liquid metals and changes regularly with the atomic number,which can be explained by the model of effective charge density of molten metals.