中国残植煤大分子结构模拟及分类界限研究

Liptobiolith is a rare coal type.It was formed by Exinite enrichment originated from the residues of higher plants such as the conservation organizations, the secretory tissues and the reproductive organs etc. Liptobiolith in China is rich in types, more in output layers, low in thermal evolution degree and complicated in origin. It has a profound theoretical significance and practical value to improve the understanding level of Liptobiolith macromolecular structure, and make clear Liptobiolith classification principle and its classification boundaries. The project intends to use the theory and method of organic petrology, coal chemistry, coal chemical industry, geochemistry, paleobotany and sedimentology etc. studying on the characteristics of China Liptobiolith in different scales from the view of macroscopic to chemical stage, the pyrolysis properties and the extract features. The Liptobiolith macromolecular structure model will be built from ChemDraw/Chem3D software based on the Liptobiolith quality analysis, maceral analysis, thermal evolution, functional group, structural parameters, dynamic parameters and characteristics of pyrolytic products etc. The Liptobiolith classification principle and boundaries will be analyzed by SPSS software through the multiple factors such as the exinite content of Liptobiolith, the technical properties (solvent extract, thermal properties and chemical activity etc.), the maceral sedimentary characteristics (geometric difference and surface properties) and the geochemical features (trace elements).The Liptobiolith biological properties, rock properties and geochemical properties are explored systematically, its origin and the relationship between the different genetic types of Liptobiolith discussed. Furthermore, the overall outline of Liptobiolith formation through sedimentary organic facies will be obtained.

我国残植煤类型丰富、产出层位多、热演化程度低、成因复杂，提高其大分子结构认识水平，弄清其分类原则和分类界限等重要问题具有深刻的理论意义和实用价值。本项目拟运用有机岩石学、煤化学、煤化工、地球化学、古植物学及沉积学的理论与方法，对我国典型的残植煤样品从宏观、界观、微观、超微、化学等不同层次特征、热解特征、抽提物特征进行全方位比较研究。通过基础煤质分析参数、不同尺度煤岩分析参数、热演化参数、官能团参数、结构单元参数、动力学参数和热解产物特征参数分析，运用ChemDraw/Chem3D软件构建其大分子结构模型。采用SPSS软件，综合分析残植煤中壳质组含量、工艺性质、显微组分沉积特征与地化特征等因素，定量确定残植煤的分类原则、分类界限。系统分析残植煤生物属性、岩石属性和地化属性,探讨其成因归属及不同成因类型之间的相互关系。以沉积有机相分析为基础得出残植煤形成作用的整体轮廓。

本项目综合运用系列现代测试分析技术，以我国不同类型残植煤中壳质组特征组分为对象，辅以现代生源母质及鄂尔多斯盆地侏罗纪低阶烟煤为参照系进行对比研究。从宏观、界观、微观、超微、化学等不同层次系统分析了残植煤的有机岩石学特征（尤其是超微和化学层次特征）；探讨了其显微组分分异、筛分浮沉特性及解离规律；研究了残植煤中小分子及热解产物之间关系，发现残植煤中小分子及热解产物丰度及种类与其特征组分化学结构及热演化程度密切相关，不同化学结构对温度敏感性呈现不同产物分布规律；探究了小分子化合物的演化路径、变化规律和小分子化合物的分离纯化及其相关利用途径；探索了催化热解条件与其热解产物之间的构效关系及其对残植煤热解气液两相产物的影响、催化机理及结构演化路径；发现壳质组特征组分含量是造成残植煤异常热行为的主要原因，壳质组特征组分含量为40%可作为残植煤的自然分类界限；系统构建了我国各类残植煤壳质组特征组分的化学结构模型，探讨了其结构骨架模型的异同及演化规律；通过残植煤壳质组特征组分植物残体分析（结合前人成果）界定了其生源植物归属。研究成果丰富了对我国残植煤及其特征组分的认识，从化学角度界定了残植煤与其它腐植煤的科学界限，填补了我国残植煤分子结构认识的多个空白，对于残植煤小分子化合物类型、演变规律与利用途径的认识具有潜在应用前景，对于残植煤催化热解过程中产物分布调控及轻质化利用奠定了基础。