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A Statistical-mechanical method to evaluate hydrogen solubility in metal

金属中の水素溶解度を評価するための統計力学的手法

小河 浩晃 

Ogawa, Hiroaki

金属中への水素溶解において、従来のサイトブロッキングモデル(SBM)の概念と実験事実との間に矛盾があるため、サイト占有モデル(SOM)を提案する。SOMは、金属中の水素は、1MPa以下の水素圧条件下では、互いに0.21nm以内に近づくことができないと言う実験事実に基づいている。水素溶解度は、並進運動,配置,回転運動の分配関数とスピン重率を考慮した統計力学的手法を展開し、解析されている。本手法の妥当性は、水素溶解度の実験データとの一致によって判断している。従来のSBMとSOMの比較も行っている。SOMからの理論曲線は、原子比0.5H/Mを超える高い水素溶解度でさえも、従来のSBMのそれらと比較して、実験データとよく一致する。

I propose a site-occupying model for hydrogen solution in metal because there is a logical discrepancy between the concept of conventional site-blocking models and an experimental fact. This model is based on the experimental fact that hydrogen atoms in metal cannot mutually come closer to less than about 0.21nm each other under hydrogen pressure of 1MPa or less. The solubility has been analyzed, developing a statistical-mechanical method. The validity of this method has been judged by agreement with experimental data on the solubility. Comparisons also have been made between the conventional site-blocking models and this model. This model can make its theoretical curve agree well with the experimental data compared to those of the conventional site-blocking models at high hydrogen solubility over 0.5H/M. In the statistical-mechanical description, the solution behavior of tritium is similar to that of hydrogen, rather than that of deuterium from the difference in the spin weights.

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パーセンタイル:32.88

分野:Chemistry, Physical

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