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金属酸化物の不完全結晶と気体酸素の間の化学平衡に関する統計力学的理論の一方法

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川崎製鉄技報

KAWASAKI STEEL GIHO Vo2. (1970) No.1

金属酸化物の不完全結晶と気体酸素の間の化学平衡に関する統計力学的理論の一方法 Statistical Mechanics of the Chemical Equilibrium between Imperfect Crystals of Metal-Oxides and Oxygen Gas Phase

岸高 寿(Hisashi Kishitaka) 要旨 :

一定の原子価をもつ金属の非化学量論的組成の酸化物結晶と気体酸素との化学的平衡状態 を,結晶中の格子欠陥,付加電子および正孔の挙動を考慮に入れて,統計力学的な取扱い により解析し,気体酸素の平衡圧力を結晶中の酸素の過剰率と温度の関数として表わす式 を導いた。NaCl 型の結晶構造をもつ MgO,CaO および BaO について計算例を示した。 Synopsis :

The chemical equilibrium between the crystal of nonstoichiometric oxide of metal, which has fixed valence, and the oxygen gas, is analysed by the statistical mechanical treatment, in consideration of lattice defects and the behaviour of the additive electron and hole. The equations, that express the equilibrium pressure of the oxygen gas as a function of the excess ratio of the oxygen in the crystals, and the temperature, are introduced. The results of the numerical calculations for MgO, CaO and BaO, which have the crystal structure of NaCl type, are illustrated.

(c)JFE Steel Corporation, 2003

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