评价煤大分子结构芳香性及缩合程度的研究

通过对煤大分子中脂肪边基和杂原子的校正,使煤大分子与氢化芳香碳氢化合物等效,研究了煤大分子结构的芳香性和缩合程度,得到了与煤大分子结构性质基本吻合的结果。     

分子模拟在煤大分子结构演化研究中的应用及进展

在对分子模拟原理介绍的基础上,对分子模拟在煤大分子结构演化研究中的应用及主要进展进行了分析。在以下几个方面取得了4点显著进展：煤大分子结构模型能量的计算与优化;煤分子结构的煤密度模拟计算;煤分子之间及与其他分子的相互作用;煤分子结构及性质的演化。     

煤大分子结构与煤变质程度关系的实验研究

本文陈述了应用Traube定律[1]通过煤真密度与其化学组成的关系建立起来的煤结构分析方法，研究了煤大分子结构随煤变质加深的变化规律，对用煤化学组成和煤结构划分煤变质程度等问题进行了初步探讨。     

南桐煤矿煤分子结构与突出危险性关系的研究

本文简述了煤分子结构统计分析的原理,并用这种方法研究了南桐煤矿煤的分子结构及其随煤变质加深的变化规律.同时,还探讨了用煤大分子结构异常特征预测煤和瓦斯突出潜在危险性的问题。     

煤的导电机理研究

本文用南桐煤田煤样研究了煤的导电性，并初步探讨了煤的导电性与煤大分子结构的关系．本文的研究结果对于煤的导电特性的研究及煤的气化均有一定的参考价值：图２，表３，参５。     

煤的结构模型及其电极化特征的研究

研究了采自四川鱼田堡、南桐和青年等三个煤太和的煤样的大分子结构，建立起了煤的结构模型。在此基础上对煤在外电场的极化特征进行了实验研究和理论分析，结果表明，转向极化和空间极化是引起通过煤样中的电流发生衰减的本质原因，且空间极化是煤极化的主要形式。     

电磁辐射作用下煤中自由基影响瓦斯突出的研究

目前煤与瓦斯突出灾害仍时有发生,非常严重。本文着重从突出煤的微观分子结构方面寻找瓦斯的来源。理论分析化学变化和粒子相互作用在煤与瓦斯突出过程中的影响,并建立一套电磁辐射实验方案力求通过实验研究含瓦斯煤岩在电磁辐射作用下其物质粒子移动或相互作用,研究煤的大分子结构中部分烷基(CH3-、CH2=CH-)和氢(H-)发生断裂和结合生成新的甲烷或瓦斯的可能性,创新煤层瓦斯灾害防治基础理论。     

煤吸附瓦斯的本质

利用煤大分子结构研究的最新成果,根据分子热力学和表面物理化学的理论,对矿井瓦斯气体在烘表面的吸附本质进行了分析,并对主要瓦斯气体与煤表面的相互作用力进行了估算,结果与实测的吸附热数据基本一致。     

用X射线衍射和FTIR光谱研究突出区煤的结构

用Ｘ射线衍射和ＦＴＩＲ光谱法对突出区煤的大分子结构进行了研究,并采用Ｆｒａｎｋｌｉｎ公式计算微晶参数Ｌａ。结果表明,用Ｆｒａｎｋｌｉｎ公式得到的Ｌａ比Ｗａｒｒｅｎ方程计算值更新近煤大分子实际结构;     

煤层注水研究现状及影响因素分析

首先对煤矿粉尘的危害进行了详细的阐述,其次结合煤的大分子结构对煤层注水的过程和方法的研究现状进行了分析,并总结了影响煤层注水效果的影响因素为：煤层裂隙、孔隙的发育程度,上覆岩层压力及支撑压力,煤的坚固性,煤的润湿性,煤层内的瓦斯压力。并对各影响因素进行了详细的分析,为煤层注水增注方法的研究提供了理论基础。     

Relationship between nanoscale deformation of coal structure and metamorphic-deformed environments

The relation between coal structure (including molecu-lar and pore structures) and metamorphism has been dis-cussed over a century. It has seldom involved nano-scale structure deformation of coals and its metamorphism- de-formed environment, especially the factor of stress influ-ence on nano-scale structural deformation. Instead the influence of temperature and pressure on the coal structure has been the primary focus. As a result, part studies indi-cated that temperature is the main factor th…     

New research progress on the ultrastructure of tectonically deformed coals

The structure of tectonically deformed coals shows some characteristics and regulations on the ultra-scale when influenced by different factors such as temperature, pressure and directional stress. Deformations of the macromolecular structure may induce changes in the nano-scale pore structure, which are very important for gas adsorption and pervasion. The geological impact of different mechanisms of deformation on different types of ultrastructure of tectonically deformed coals is not only of significance as a topic for scientific research, but also in studying environments of metamorphism-deformation at differing metamorphic stages. This research is also very important in studying the accumulation and occurrence conditions of coalbed methane gas, mechanisms of coal and gas outbursts, predictions of coalbed methane resources and dangers of coal and gas outbursts. This paper analyzes current research, within China and other countries, in the ultrastructure of tectonically deformed coals. The research includes (1) structural models of tectonically deformed coals; (2) the relationship between ultrastructure and stress; (3) the structure of tectonically deformed coals and its strain environment. These results are also based on our own experiments including vitirnite reflectance (R_o,max), X-ray diffraction (XRD) and nuclear magnetic resonance (NMR (CP/MAS + TOSS)). We discuss the important effects of the structure of tectonically deformed coals and their physical properties, and then point out some problems concerning the research progress of tectonically deformed coals.     

煤基富勒烯的制备研究

以 1 4种国产煤为原料 ,用电弧等离子体蒸发法制备富勒烯 .富勒烯产品的表征采用质谱、紫外光谱、红外光谱及高压液相色谱技术 .考察了煤样的基础性质对富勒烯产率的影响 .结果表明 ,由实验所用煤种均可制得富勒烯 ;原料煤本身的化学结构和组成影响富勒烯的产率和分布 ;由某些煤得到的富勒烯中 ,C70 的含量较之以石墨电极为原料时的含量要高得多 .     

Behavior and mechanism of the adsorption/desorption of tectonically deformed coals

The physical and chemical texture of tectonically deformed coals produced by various formational mechanisms are different from those of primary coals, thus resulting in major differences among the physical properties of the reservoirs of these coals. We have studied the adsorption/desorption behavior of tectonically deformed coals by the use of isothermal adsorption/desorption experiments under equilibrium moisture condition. Experiments of isothermal adsorption/desorption of methane or multi-component gases have indicated that, the adsorption curves of coals with a low degree of tectonic deformation conform to the type of isothermal adsorption curve described by the Langmuir equation; the methane adsorption curves of coals with strong tectonic deformation cannot be described by the Langmuir equation. The adsorption/desorption process of methane and multi-component gases in the deformed coals is not consistent with primary coals, which form an effect of hysteresis in different kinds of tectonically deformed coals. With the change of pore structure of tectonically deformed coals at reservoir condition, the added adsorbed CH₄ in the experiments is desorbed on the pore surface of coals during the pressure reduction process. Thus, the result shows that the adsorption volume in the process of desorbing is greater than that in adsorbing. Because of the deformation, structural change, and transformation of the adsorption potential field of coals, it is essential to form a new kind of isothermal adsorption curve and the hysteresis effect of the desorption process. Supported by National Basic Research Program of China (Grant Nos. 2006CB202201 and 2009CB219601) and National Natural Science Foundation of China (Grant Nos. 40772135, 40642013 and 40172058)     

微波条件下抽提煤的实验研究

在微波辅助下,以神府煤为研究对象,四氢呋喃、乙醇、甲醇为溶剂,考察了抽提温度、时间、溶剂量及煤粒度对抽提率的影响,结果显示:上述3种沸点不同的溶剂抽提率达到其最佳值所需要的溶剂量及煤粒度相差不大但抽提温度有所不同;同时探讨了以四氢呋喃、丙酮、N,N-二甲基乙酰胺为溶剂,对不同变质程度煤的微波辅助抽提效果,结果是变质程度相似的煤在相同抽提条件下抽提率不同。运用红外光谱现代分析技术,对神府脱灰煤和溶剂抽提后的残煤进行结构对比分析,结果表明抽提并没有破坏煤的大分子结构。     

红外光谱定理分析煤中脂肪碳和芳香碳

利用FT－IR光谱分析和合适的光谱分峰程序，把煤的红外吸收光谱分解为38个Gaussian分布的峰，基于煤中芳香－CH和脂肪－CH的振动对红外光谱的吸收贡献，对我国煤化程度显著差异的18种煤的红外光谱进行研究，确定了煤中的芳香－CH和脂肪－CH含量，获得了我国煤的结构参数，实验表明煤的Har/Hal和芳香度（fa)与煤化程度的有关，碳含量85％是煤的特征值。     

黏结指数G值表征炼焦煤结焦性的局限性研究

对7组相同变质程度和黏结指数G值炼焦煤煤岩显微组分、高温塑性和成焦光学组织结构进行研究。结果表明,相同变质程度和G值的炼焦煤高温塑性差异明显,软化温度相差3~29℃,固-软温度区间相差8~42℃,最大基氏流动度比值为1.3~1266;其炼焦煤焦炭光学组织结构差异亦明显,粗粒镶嵌结构占比相差9%~43%,同性结构占比相差2%~16%,纤维结构占比相差15%~36%。因此,G值对煤料受热所产生胶质体的数量能较好地表征,但对其结焦性的判断存在缺陷。