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《Geochimica》 2004-06
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Kinetic modeling of carbon isotope fractionation of coal-derived methane

XIONG Yong-qiang,GENG An-song,LIU Jin-zhong State Key Laboratory of Organic Geochemistry,Guangzhou Institute of Ge ochemistry,Chinese Academy of Scie nces,Guangzhou510640,China Correspondence should be addressed to XIONG Yong-qiang(E-mail:xiongyq@gig.ac.cn)Received October 28,2003;revised March 15,2004;accepted September 14,2004;published November,2004  
The main purpose of this study is to mo del theδ 13 C values of methane derived from coal by combining kinetic simulating experiment with the GC-IRMS analysis.The stable carbon isotopic variation of methane in pyrolysates with heating temperatu re indicates that the assumptions of both a constant kinetic isotope effe ct(α)and a uniform initial isotopic composition(δ 13 C o )are impractical to explain the carbon isotopic fractionation during calcification.In this paper,for simplification,two approaches are su ggested to deal with the heterogeneity of terrestrial organic matter.One is t hat assuming an uniform initial isotopic composition(δ 13 C i,o =δ 13 C o )for all methane-producing precursors in coal,the isotopic variation of methan e is fitted by adjustingΔE a,i (E a,i 13 C -E a,i 12 C )for each hypothetical reaction.Another is that assuming a constant kinetic isotope effect(α)during the whole gas formation,that is allΔE a,i is identical,the modeling of methan e isotopic composition is achieved t hrough changing f i 13 C ,namely,adjusting initialδ 13 C value(δ 13 C i,o )of each methane generating precurso r.The kinetic calculation shows that two simulating methods have a similar result under the geological heating rate of 2℃/Ma.
【Fund】: 国家重点基础研究发展规划项目(2003CB214603);; 中国科学院知识创新工程重要方向项目(KZCX1-SW-18)
【CateGory Index】: P618.13
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