期刊
GEOCHIMICA ET COSMOCHIMICA ACTA
卷 73, 期 7, 页码 2089-2102出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.gca.2009.01.021
关键词
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资金
- Zhenhao Duan's Major development Funds [kzcx2-yw-124]
- Chinese Academy of Sciences, the Key Project Funds [40537032]
- National Science Foundation of China
- NKBRDPC [2005CB422103]
- NSFC [40673040]
- Ministry of Science and Technology of China [2006CB-705800]
A model is presented for predicting the composition (H2O, CO2, CH4, H-2, CO, O-2 and C2H6) in the C-O-H fluid system under high temperatures and pressures found in the Earth's mantle. The model is based on a molecular dynamic equation of state, statistical mechanics calculations and non-stoichiometric global free-energy minimization. Although the model is not fitted to experimental data on C-O-H speciation, it does accurately reproduce these datasets and should extrapolate at least to the depths of similar to 80-220 km. The model results suggest that (1) in the upper cratonic mantle, H2O is the dominant fluid species in the C-O-H fluid system; (2) the abundance of CO2 increases with decreasing depth, the trend of CH4 is just the opposite; (3) the boundary between lithosphere and asthenosphere generally divides fluid systems into H2O-CH4+ minor species and H2O-CO2+ minor species, respectively; (4) it is entirely possible to generate methane and ethane and possibly other hydrocarbons under mantle conditions, confirming previously experimental results. (c) 2009 Published by Elsevier Ltd.
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