• 论文
主办单位:煤炭科学研究总院有限公司、中国煤炭学会学术期刊工作委员会
屯留矿煤分子孔隙重构及其表征与分析
  • Title

    Insight on coal molecular⁃scale pore reconstruction of Tunliu mine and its characterization and analysis

  • 作者

    孟筠青张硕曹子豪王琛

  • Author

    MENG Junqing,ZHANG Shuo,CAO Zihao,WANG Chen

  • 单位

    中国矿业大学(北京) 应急管理与安全工程学院中国矿业大学(北京) 煤炭资源与安全开采国家重点实验室中国矿业大学(北京) 共伴生能源精准开采北京市重点实验室

  • Organization
    School of Emergency Management and Safety Engineering,China University of Mining and Technology-Beijing;State Key Labo⁃ ratory of Coal Resources and Safe Mining,China University of Mining and Technology-Beijing;Beijing Key Laboratory for Pre⁃ cise Mining of Intergrown Energy and Resources,China University of Mining and Technology-Beijing
  • 摘要

    为定性和定量研究煤的分子孔隙分布情况选取屯留矿区煤样为研究对象通过元素分析、 固体13 核磁共振和 射线光电子能谱等实验测试并分析了屯留矿煤样的化学结构构建了煤分 子模型。 利用分子模拟技术重构了煤样的分子孔隙。 采用最大球算法原理对分子孔隙模型进行 孔隙识别基于提取的孔隙网络模型对孔隙结构参数进行简化计算实现了对煤分子孔隙结构的三 维可视化表征和定量分析。 利用CO2吸附法测试了煤样的孔径分布比表面积和孔容等孔隙结构 参数与模型对应的孔隙分布特征进行了对比。 结果表明屯留煤样孔径小于 1 nm 的分子孔隙孔 径分布曲线呈现双峰特征第 峰范围内孔隙的孔径小于 0.7 nm属于极微孔第 峰范围内孔隙 的孔径大于 0.7 nm属于超微孔;孔径在 0.40 ~ 0.65 和 0.70 ~ 0.89 nm 的孔隙数量较多比表面积和 孔容较大;孔隙平均配位数为 2.32大多数孔隙由 个及以上的喉道连通说明孔隙连通性较好;孔 喉半径比主要在 1.00 ~ 2.00极少在 4.50 ~ 7.50说明煤样孔径小于 1 nm 的分子孔隙空间发育比较 均匀但在孔隙空间的局部区域存在较大尺寸变化;模型的孔隙分布特征与 CO吸附法测试结果相 比孔径分布曲线趋势相似数值相近说明利用煤分子重构煤的分子孔隙并进行孔隙结构的表征 与分析是可行的


  • Abstract

    To study the molecular⁃scale pore structure of coal,the coal sample in the Tunliu mine was taken as the re⁃ search object. The chemical structure of the coal sample from Tunliu mine was tested and analyzed by ultimate analy⁃ sis,solid 13 C NMR and X⁃ray photoelectron spectroscopy,and a molecular model of coal was constructed. Then the mo⁃ lecular pores of the coal sample were reconstructed using molecular simulation techniques. The maximal ball method was used for the pore identification of molecular pore model,and the simplified calculation of pore structure parameters based on the extracted pore network model,which realized the three⁃dimensional visual characterization and quantita⁃ tive analysis of coal molecular pore structure. The pore structure parameters such as the pore size distribution,specific surface area and pore volume of the coal sample were tested by the COadsorption method and compared with the pore distribution characteristics corresponding to the model. The results are as follows:the pore size distribution curve of molecular pores with pore size less than 1 nm in the Tunliu coal sample shows a bimodal feature. The pore size of pores in the first peak range is less than 0.7 nm,which belongs to narrow micropore,and the pore size of pores in the second peak range is greater than 0.7 nm,which belongs to ultra⁃micropore. The number of pores with pore sizes in the range of 0.40-0.65 nm and 0.70-0.89 nm is higher,and they have larger specific surface area and pore volume. The average coordination number of pores is 2.32,and most of the pores are connected by two or more throats,indicating a good pore connectivity. The pore⁃throat radius ratios are mainly in the range of 1.00-2.00 and rarely in the range of 4.50-7.50,indicating that the molecular⁃scale pore space of the coal sample is uniformly developed,but large size var⁃ iations existed in local areas of the pore space. Compared with the results measured by the COadsorption method,the pore size distribution curve trend and numerical value of the model are similar,which indicates that it is feasible to re⁃ construct the molecular⁃scale pore structure of coal,characterize and analyze the pore structure by using coal molecules.


  • 关键词

    煤分子分子孔隙最大球算法孔径分布孔喉半径比

  • KeyWords

    coal molecule;molecular⁃scale pore;maximal ball method;pore size distribution;pore⁃throat radius ratio

  • 引用格式
    孟筠青,张硕,曹子豪,等. 屯留矿煤分子孔隙重构及其表征与分析[J].煤炭学报,2022,47(S1):160-170.
  • Citation
    MENG Junqing,ZHANG Shuo,CAO Zihao,et al. Insight on coal molecular-scale pore reconstruction ofTun⁃ liu mine and its characterization and analysis[J]. Journal of China Coal Society,2022,47(S1):160-170.
相关问题

主办单位:煤炭科学研究总院有限公司 中国煤炭学会学术期刊工作委员会

©版权所有2015 煤炭科学研究总院有限公司 地址:北京市朝阳区和平里青年沟东路煤炭大厦 邮编:100013
京ICP备05086979号-16  技术支持:云智互联