Determination of the pressure and composition of wet gas fluid inclusions: An in situ Raman spectroscopic approach
Li, Feiyang4; Wan, Ye3; Sun, Dongquan4; Wang, Xiaolin1,2,4; Hu, Wenxuan2,4
刊名SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
2024-03-05
卷号308页码:11
关键词Raman spectroscopy Experimental calibration Wet gas Fluid inclusion Trapping pressure
ISSN号1386-1425
DOI10.1016/j.saa.2023.123774
英文摘要

Carbonaceous fluid within mineral-hosted inclusions provides important information for carbon cycle in deep Earth. In addition to CH4 and CO2, heavy hydrocarbons (e.g., C2H6 and C3H8) are frequently observed in carbonaceous fluid inclusions (i.e, wet gas inclusions with C-1/& sum;C-i < 0.95). However, determination of the composition of such complex volatiles is difficult based on traditional microthermometric measurements. Here we carried out experimental calibrations on Raman spectroscopic measurements of the pressure (P) and composition of the CH4 +/- C2H6 +/- C3H8 +/- H2S system at room temperature and 0.1-130 MPa. We confirmed that the C-H symmetric stretching vibration band of CH4 [nu(1)(CH4), similar to 2917 cm(-1)] shifted to lower wavenumber with rising pressure, thus the P-nu(1)(CH4) relationship could be applied to calculate the pressure of wet gas. It should be noted that the presence of C-2+ and/or H2S will shift the [nu(1)(CH4)] to lower wavenumber at constant pressure (with the order of C3H8 >= H2S > C2H6). Obviously, the P-nu(1)(CH4) relationship derived from pure CH4 system could not be simply applied to wet gas inclusion, otherwise the pressure would be overestimated. To avoid the overlap of the C-H vibrations of CH4, C2H6 and C3H8, the peak areas and peak heights of the overtone vibration of CH4 [2 nu(4)(CH4), similar to 2580 cm(-1)], C-C symmetric stretching vibrations of C2H6 [nu(3)(C2H6), similar to 995 cm(-1)] and C3H8 [nu(8)(C3H8), similar to 868 cm(-1)], and S-H symmetric stretching vibration of H2S [nu(1)(H2S), similar to 2612 cm(-1)] were fitted using Gaussian + Lorentz functions. The obtained peak areas and peak heights were then used to calculate the Raman quantification factors (F factor and G factor, respectively) of C2H6, C3H8 and H2S relative to CH4, respectively. Both the F factor and G factor increased with rising pressure, whereas the FC2H6, FC3H8 and GH(2)S kept nearly constant at similar to 5.69, 6.39 and 153.8, respectively in high pressure gas mixtures (e.g., >30 MPa). Therefore, for inclusions with higher internal pressure, the molar ratio of CH4, C2H6, C3H8 and H2S could be determined by the aforementioned F and G factors. This method was applied to the calcite-hosted single-phase gas inclusions in the Upper Permian Changxing Formation carbonate reservoir from the eastern Sichuan Basin (South China). Our results indicated that the trapping pressure would be obviously overestimated if the presence of heavy hydrocarbons was not taken into account.

资助项目National Key R & D Program of China[2022YFF0800403] ; National Natural Science Foundation of China[42173038]
WOS关键词NATURAL-GAS ; SICHUAN BASIN ; QUANTITATIVE COMPOSITION ; OPTICAL-CELL ; METHANE ; EQUATION ; MIXTURES ; SPECTRA ; DENSITY ; HYDROCARBON
WOS研究方向Spectroscopy
语种英语
出版者PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号WOS:001145165400001
资助机构National Key R & D Program of China ; National Natural Science Foundation of China
内容类型期刊论文
源URL[http://ir.idsse.ac.cn/handle/183446/10819]  
专题深海科学研究部_深海极端环境模拟研究实验室
作者单位1.Nanjing Univ, Dept Earth Sci, Room 374,Zhugongshan Bldg,163 Xianlin Ave, Nanjing 210023, Peoples R China
2.Nanjing Univ, Frontiers Sci Ctr Crit Earth Mat Cycling, Nanjing 210023, Jiangsu, Peoples R China
3.Chinese Acad Sci, Inst Deep Sea Sci & Engn, Sanya 572000, Hainan, Peoples R China
4.Nanjing Univ, Sch Earth Sci & Engn, State Key Lab Mineral Deposits Res, Nanjing 210023, Jiangsu, Peoples R China
推荐引用方式
GB/T 7714
Li, Feiyang,Wan, Ye,Sun, Dongquan,et al. Determination of the pressure and composition of wet gas fluid inclusions: An in situ Raman spectroscopic approach[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2024,308:11.
APA Li, Feiyang,Wan, Ye,Sun, Dongquan,Wang, Xiaolin,&Hu, Wenxuan.(2024).Determination of the pressure and composition of wet gas fluid inclusions: An in situ Raman spectroscopic approach.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,308,11.
MLA Li, Feiyang,et al."Determination of the pressure and composition of wet gas fluid inclusions: An in situ Raman spectroscopic approach".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 308(2024):11.
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