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同位素分馏理论计算新进展
引用本文:方涛. 同位素分馏理论计算新进展[J]. 地球科学进展, 1997, 12(3): 253-258. DOI: 10.11867/j.issn.1001-8166.1997.03.0253
作者姓名:方涛
作者单位:中国科学院地球化学研究所
基金项目:国家自然科学基金项目“磷灰石氧同位素分馏高压实验研究(项目编号:49303040)资助.
摘    要:稳定同位素分馏的理论计算,既是同位素理论研究的重要方面,也是矿物物理研究的重要课题,它涉及矿物的宏观性质和微观性质两个方面。自从Urey(1947)以来,人们提出了许多计算模式,但绝大多数模式都是以还原配分函数比作为出发点,以自由能变化为基础。从方法上表现出两种趋势,一是简化的趋势,以尽可能少的参数得到尽可能合理的结果;二是大型化和精确化趋势,以复杂的晶格动力学模式和计算机的大量应用为特征。随着这方面研究的深入,理论计算将成为人们了解矿物同位素分馏性质的重要途径。

关 键 词:稳定同位素  分馏系数  理论模式
收稿时间:1996-06-04
修稿时间:1996-10-21

DEVELOPMENT ON THE THEORETICALCALCULATION OF ISOTOPE FANG
Tao. DEVELOPMENT ON THE THEORETICALCALCULATION OF ISOTOPE FANG[J]. Advances in Earth Sciences, 1997, 12(3): 253-258. DOI: 10.11867/j.issn.1001-8166.1997.03.0253
Authors:Tao
Affiliation:Institute of Geochemistry,Chinese Academy of Sciences,Guizhou  550002
Abstract:The theoretical calculatiorx of stable isotope fractionation is an important aspect of both stable isotopic theory and mineral's thermodynamic research because it deals with mineral's property in both microscope and microscopes. Many model. have been proposed since Urey(1947) and most of them are based on the change in free energy and calculated from the reduced partition function ratios. Two trentlecies have been displayed in recent models: simplicatio-getting reasonable results with less indx; accuratification-character- ized by the widely used of computer and the complicated thermodynamic calculation. With the development in this area , the theoretical calculation could become an important way to understand mineral's isotopic fractionation properties in future.
Keywords:, Stable isotope , Fractiona. factor, Theoretical model.,
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