龙马溪组页岩干酪根平均分子结构模型的构建

发布时间：2018-11-24 09:19

【摘要】：以四川盆地下志留统龙马溪组下段页岩中提取的干酪根为研究对象,利用等温吸附、XRD、FTIR和~(13)C NMR实验分析其基本的结构特性,获得了重要结构信息。研究结果表明:该地区干酪根是非晶态高聚物;通过对比干燥干酪根和平衡水干酪根的等温吸附曲线,发现平衡水干酪根的吸附能力较低,这与干酪根表面吸附的水分子有关,说明干酪根分子中含有亲水的官能团;通过FTIR对龙马溪组干酪根分析发现其含有苯环、羟基、亚甲基和甲基等官能团;~(13)C NMR谱图表明该地干酪根由芳碳、脂碳和羰基碳构成,其中芳烃是其主要的结构成分,脂碳和羰基碳起连接芳香结构单元的作用。利用这些信息,进而建立起了龙马溪组干酪根的平均分子结构模型,最后通过对比实验结构参数和模拟模型的结构参数,可以发现两者结果接近,说明模拟的干酪根分子模型是可以用于下一步干酪根吸附性能的分子动力学模拟。
[Abstract]:The kerogen extracted from the shale of the Lower Silurian Longmaxi formation in Sichuan Basin was studied. The basic structural characteristics were analyzed by isothermal adsorption, XRD,FTIR and ~ (13) C NMR experiments, and important structural information was obtained. The results show that kerogen is an amorphous polymer in this area. By comparing the isothermal adsorption curves of dry kerogen and Hengshui kerogen, it is found that the adsorption ability of equilibrium water kerogen is lower, which is related to the water molecules adsorbed on the surface of kerogen, indicating that the kerogen molecules contain hydrophilic functional groups. It was found by FTIR analysis of kerogen in Longmaxi formation that it contained benzene ring, hydroxyl group, methylene group and methyl group. The ~ (13) C NMR spectra show that the kerogen is composed of aromatic carbon, fatty carbon and carbonyl carbon, among which aromatics are the main structural components, and fatty carbon and carbonyl carbon play the role of connecting aromatic structural units. Using these information, the average molecular structure model of kerogen in Longmaxi formation is established. Finally, by comparing the experimental structural parameters with the structural parameters of the simulation model, it can be found that the two results are close to each other. It is suggested that the simulated molecular model of kerogen can be used to simulate the adsorption properties of kerogen in the next step.
【作者单位】：西南石油大学油气藏地质及开发工程国家重点实验室;
【基金】：国家自然科学基金联合基金重点项目(U1262209);国家自然科学基金青年科学基金项目(41602155)
【分类号】：P618.13

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