声明
致谢
1 绪论
1.1 课题背景及意义 (Background and Significance of Research)
1.2 褐煤资源概述 (Overview of Lignite Resources)
1.3 煤结构的研究进展 (Progress of Coal Structure Research)
1.4 褐煤中水分的存在形式和氢键作用 (Existing Forms and Hydrogen Bonding Interactions of Moisture in Lignite)
1.5 量子化学计算方法简介 (Introduction to Computational Methods of Quantum Chemistry)
1.6 研究意义和内容 (Contents and Significance)
2 实验部分
2.1 煤样处理和分析 (Treatment and Analyses of Coal Samples)
2.2 实验设备和试剂 (Experimental Instruments and Reagents)
2.3 实验步骤 (Experimental Procedures)
2.4 分析和表征方法 (Analysis and Characterization Methods)
3 原煤的超声辅助萃取
3.1 原煤的分析与表征 (Analyses and Characterization of Raw Coals)
3.2 萃取物的产率与分析 (Yields and Analyses of Extractions)
3.3 萃余煤的分析与表征 (Characterization and Analyses of ER5)
3.4 本章小结 (Summary)
4 萃余煤的热溶解聚
4.1 热溶物的产率和分析 (Yields and Analyses of SPs)
4.2 热溶残渣的分析与表征 (Characterization and Analyses of TDRs)
4.3 丙酮热溶机理探究与分析 (Investigation and Analyses on The Mechanism of Acetone Thermal Dissolving)
4.4 本章小结 (Summary)
5 有机氧和有机氮模型化合物与水分子的氢键相互作用
5.1 苯酚-水簇复合物氢键结构与性质 (Structure and Properties of Hydrogen Bonds in Phenol-water Complexes)
5.2 含氧和含氮官能团与单个水分子的氢键作用 (Hydrogen Bonding Interactions between Oxygen- and Nitrogen-containing Functional Groups and Water Molecule)
5.3 有机氧分子结构单元与水分子的氢键作用 (Hydrogen Bonding Interactions between Organic Oxygen Model Compounds and Water Molecules)
5.4 有机氮分子结构单元与水分子的氢键作用 (Hydrogen Bonding Interactions between Organic Nitrogen Model Compounds and Water Molecules)
5.5 本章小结 (Summary)
6 结论与创新点
6.1 结论 (Conclusions)
6.2 创新点 (Innovations)
参考文献
附录
作者简历
学位论文数据集