Sample maturation calculated using Raman spectroscopic parameters for solid organics: Methodology and geological applications  

作　　者：LIU DeHan XIAO XianMing TIAN Hui MIN YuShun ZHOU Qin CHENG Peng SHEN JiaGui 

机构地区：[1]State Key Laboratory of Organic Geochemistry, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences

出　　处：《Chinese Science Bulletin》2013年第11期1285-1298,共14页

基　　金：supported by the National Basic Research Program of China (2012CB214705);the National Natural Science Foundation of China (41072095);the State Scientific Brainstorm Program (2011ZX05008-002);the Knowledge Innovation Program of the Chinese Academy of Sciences (KZCX2-YW-Q05-03 and KZCX2-YW-Q05-06)

摘　　要：The shape and shift of Raman peak of solid organics prove to be capable of revealing atomic and molecular level vibration information of aromatic ring structure and its relationship with sample maturation. Raman "D" peaks and "G" peaks of a series of continuously maturated coal samples were measured, and the inter-peak intervals (G-D) and peak height ratios (Dh/Gh) were derived and correlated with the vitrinite reflectance (vRo%) of standard coal samples. As a result, two formulae were established by using the two Raman indices for calculation of Raman reflectance (RmcRo%), which is equivalent to vitrinite reflectance. The formula for calculating Raman reflectance indicative of organic maturation using Raman shift inter-peak interval (G-D) is RmcRo%=0.0537d(G-D)-11.21, which is mainly applicable to matured to highly matured carbonized samples of solid organics; The formula for calculating Raman reflectance indicative of organic maturation using Raman peak height ratio (Dh/Gh) is RmcRo%=1.1659h (Dh/Gh)+2.7588, which is mainly applicable to carbonized samples of solid organics that are over matured or going to be turned into granulated graphite. Preliminary applications indicate that Raman reflectance "RmcRo%" calculated based on results of Raman spectral analysis of solid organics can be used to characterize sample maturation at molecular level, so enjoying extensive prospects in geological applications.The shape and shift of Raman peak of solid organics prove to be capable of revealing atomic and molecular level vibration infor- mation of aromatic ring structure and its relationship with sample maturation. Raman ＂D＂ peaks and ＂G＂ peaks of a series of con- tinuously maturated coal samples were measured, and the inter-peak intervals （G-D） and peak height ratios （Dh/Gh） were derived and correlated with the vitrinite reflectance （vRo%） of standard coal samples. As a result, two formulae were established by using the two Raman indices for calculation of Raman reflectance （RmcRo%）, which is equivalent to vitrinite reflectance. The formula for calculating Raman reflectance indicative of organic maturation using Raman shift inter-peak interval （G-D） is RmcRo%= 0.0537 d（G-D）-11.21, which is mainly applicable to matured to highly matured carbonized samples of solid organics; The for- mula for calculating Raman reflectance indicative of organic maturation using Raman peak height ratio （Dh/Gh） is RmcRo%= 1.1659 h （Dh/Gh）＋2.7588, which is mainly applicable to carbonized samples of solid organics that are over matured or going to be turned into granulated graphite. Preliminary applications indicate that Raman reflectance ＂RmcRo%＂ calculated based on re- suits of Raman spectral analysis of solid organics can be used to characterize sample maturation at molecular level, so enjoying extensive prospects in geological applications.

关 键 词：拉曼光谱分析 参数计算方法 固体有机物 地质应用 样品 有机质成熟度 镜质组反射率 光谱反射率 

分 类 号：O657.37[理学—分析化学]