Theoretical Prediction for Several Important Equilibrium Ge Isotope Fractionation Factors
详细信息
- 责任者：Li Xuefang (State Key Laboratory of Ore Deposit Geochemistry ; Institute of Geochemistry ; Chinese Academy of Sciences ; Guiyang 550002 ; China) ; Tang Mao
- 刊名：Acta Mineralogica Sinica
- 出版年：2009
- 卷期：29(2)
- 关键词：锗 ; germanium ; 同位素分馏作用 ; isotope fractionation
- 页码：p.183-190
- 图表：4 illus., 4 tables, 27 refs.
- 分类号：0600
- issnNo：ISSN1000-4734
- isbnNo：CN52-1045/P
摘要
This study provided a number of theoretical equilibrium isotope fractionations between several Ge species, including quartz-(or opal-), albite-, K-feldspar-and olivine-like structures, as well as the dominant Ge(OH)4 and GeO(OH)3-species in aqueous solutions. They are basic parameters for exploring the unknown application of Ge isotope in the field of geochemistry. The method is based on the Urey model (or the Bigeleisen-Mayer equation) and quantum chemistry calculation. Solvent effect was handled using explicit solvent model (“water droplet” method), and the minerals were simulated by cluster model. The results showed that quartz-or opal-like structure can enrich most heavy Ge isotopes.