Combining Fourier Transform Infrared and Raman Spectroscopy to Characterize Kerogen Molecular Structures: Insights into Their Thermal Maturity

This study systematically analyzed the composition of organic functional groups and changes in the carbon structure of kerogen at different stages of thermal maturity using Fourier Transform Infrared (FTIR) spectroscopy and Laser Raman spectroscopy techniques. The research selected oil shale samples from the Late Carboniferous deep coal strata in the southern part of the Huainan coalfield. Kerogen was extracted through acid treatment, pyrite removal, and heavy liquid separation processes. Utilizing FTIR and Raman spectroscopy, the study delved into the quantitative and qualitative characteristics of functional groups such as hydroxyl, carboxyl, and methyl in the kerogen, as well as the variations in the ratio between aliphatic and aromatic carbon. The research found that as thermal maturity increased, aromatic structural parameters in the kerogen significantly rose, while aliphatic structural parameters exhibited a downward trend. Specifically, FTIR spectroscopy was used to identify the characteristic absorption wavenumber ranges of different functional groups and calculate key parameters such as the aromaticity of the kerogen and the ratio of aliphatic to aromatic functional groups using relevant formulas. Meanwhile, Raman spectroscopy analysis revealed changes in the orderliness of carbon atoms and the degree of graphitization in the kerogen as a function of thermal maturity, with the intensity ratio of the G band to the D₁ band (A_D1/A_G) emerging as an important indicator for assessing thermal maturity. Additionally, this study further validated the correlation between thermal maturity and parameters such as reflectance (R₀) and the H/C ratio by calculating the metamorphic temperature of the kerogen. Combining the results of FTIR and Raman spectroscopy analyses, this study unveiled a close relationship between the thermal maturity of kerogen and its organic functional group composition and carbon structure. As thermal maturity increased, the degree of aromatization in the kerogen rose, aliphatic chain lengths shortened, and the degree of graphitization improved. These findings not only enhance the understanding of the thermal evolution process of kerogen but also provide crucial scientific insights for oil and gas exploration and development.