黑铜矿氧同位素分馏的理论计算  

THEORETICAL CALCULATION OF OXYGEN ISOTOPIC FRACTIONATION OF TENORITE

作　　者：方涛[1] 

机构地区：[1]中国科学院地球化学研究所

出　　处：《地球化学》1996年第3期221-227,共7页Geochimica

基　　金：国家自然科学基金;中国科学院矿床地球化学开放实验室基金

摘　　要：黑铜矿为铜的氧化矿物，对其结构、力场、光谱前人做过较详细的工作。本文在黑铜矿内部力场计算的同位素位移基础上，通过光谱简约配分函数比的计算，得到黑铜矿－水氧同位素分馏方程：１０３ｌｎα＝２．５１Ｘ２－１４．８７Ｘ＋６．３１（Ｘ＝１０３／Ｔ）同时，利用Ｚｈｅｎｇ的加和增量模式法对黑铜矿的氧同位素分馏进行了计算，得到如下黑铜矿－水体系的分馏方程：１０３ｌｎα＝２．８９Ｘ２－１３．１０Ｘ＋３．９２Ｘ＝１０３／Ｔ）两种方法计算的结果符合较好。文章对计算造成的误差也进行了讨论。Tenorite is an oxide of cupper which has been studied in detail on its structure, force constants and spectrum. Based on the isotopic shifts of the spectral bands calculated from force constants of tenorite, its reduced partition function ratios were calculated and an oxygen isotopic fractionation curve between tenorite and water was obtained:103lnα = 2.51 X2- 1 4.87X+6. 3 1(X= 103 /T)Oxygen isotopic fractionation of tenorite were also calculated with the modified increment method of Zheng(1991), and another equation was obtained:103lnα = 2.89X2- 1 3 . 1 0X+3 .92(X= 103 / T)Calculated results of the two different models were consistent with each other. The possible errors of the calculations were also discussed.

关 键 词：黑铜矿 氧同位素 分馏系数 

分 类 号：P578.294[天文地球—矿物学]