褐煤中有机氧和有机氮的赋存形态及其与水的作用机理研究

项目名称： 褐煤中有机氧和有机氮的赋存形态及其与水的作用机理研究

项目编号： No.21206188

项目类型： 青年科学基金项目

立项/批准年度： 2013

项目学科： 化学工程及工业化学

项目作者： 赵云鹏

作者单位： 中国矿业大学

项目金额： 25万元

中文摘要： 水和氧含量高是褐煤长期以来没有得到合理利用的主要原因，而氮是煤作为能源利用的主要污染源之一，深入了解褐煤中有机氧和有机氮的赋存形态及其与水的作用机理对褐煤的有效和洁净转化及高附加值利用具有重要意义。本项目旨在利用分级萃取和醇溶剂中变温热溶等可分离和非破坏或轻度破坏的方法将褐煤中含氧和含氮有机化合物溶出和富集，然后采用柱层析、旋转带蒸馏和中压液相制备色谱等方法将萃取物和热溶物中含氧和含氮有机化合物分离为窄组分乃至纯组分，并选用部分化合物纯品培养单晶，利用气相色谱/质谱联用仪、高效液相色谱/多级离子阱质谱联用仪和快速高分离液相色谱/飞行时间质谱/红外光谱联用仪分析各级萃取物、热溶物、窄馏分和纯组分，通过核磁共振波谱和单晶X射线衍射分析所得纯组分和单晶的准确结构，以期从分子水平上了解褐煤中有机氧和有机氮的赋存形态，进而借用量子化学计算的方法从理论上研究褐煤中有机氧和有机氮与水的氢键作用机理。

中文关键词： 褐煤；有机氧；有机氮；水；作用机理

英文摘要： High water and oxygen contents have been main reason for the difficulty in efficient utilization of lignite so far, and nitrogen is one of the main pollution sources during coal utilization as fuel. Therefore, identify the occurrence forms of organic oxygen and organic nitrogen in lignite, and explore their action mechanism with water are important to the efficient and clean conversion, and high value-added utilization of lignite source. The aim of this project is to dissolve and enrich the oxygen-containing organic species (OCOSs) and nitrogen-containing organic species (NCOSs) of lignite by separable and nondestructive or mild destructive methods, including fractional extraction and sequential thermal dissolution in alcohols solvent. Then, the OCOSs and NCOSs in extracts and thermal dissolution soluble fractions are finely separated into narrow components, or even pure species, by column chromatography, spinning band distillation and medium pressure preparative liquid chromatography. And select some pure species to grow single crystals. The extracts, thermal dissolution soluble fractions, narrow components and pure species will be characterized by GC/MS, HPLC/ITMSn and RRLC/TOF- MS/FTIR, and the pure species and crystals will be characterized by NMR and single crystal XRD，respectively. These experiments and an

英文关键词： lignite；organic oxygen；organic nitrogen；water；action mechanism