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A new insight into the structure of Huolinhe lignite based on the yields of benzene carboxylic acids

机译：基于苯甲酸收率的霍林河褐煤结构的新认识

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摘要

Coal is an important fossil energy. In order to improve its use efficiency, the study of its complex structure has drawn much attention all over the world. Since 1942, lots of molecular level models of coal have been proposed. However, they cannot reflect the yield distribution of benzene carboxylic acids (BCAs) that are generated from coal by oxidation. In this work, the organic matter structure of Huolinhe lignite was studied and a new structural model of organic matter of the lignite was constructed based on the yield distribution of BCAs from the oxidation of the lignite. Huolinhe lignite was analyzed via ultimate analysis, FTIR, XPS and C-13 NMR to investigate its elemental composition, organic functional groups, and carbons types and quantities. At first, various carbon structural parameters of the lignite were calculated through peak fitting of C-13 NMR. Then, combined with BCAs yields, aromatic clusters of the lignite model were built. Finally, a structural model of the lignite organic matter was constructed combined with the results of ultimate analysis, FTIR, XPS, 13C NMR and the contents of carboxyl and phenolic hydroxyl groups. The results showed that the model had a molecular formula of C3942H3666O883N50S11, and a molecular weight of 66,150 amu. The model can not only satisfy the results of ultimate analysis, FTIR, XPS, C-13 NMR and the contents of carboxyl and phenolic hydroxyl groups, but also explain the generation of BCAs in the process of lignite oxidation and satisfy the yield distributions of BCAs. The work provides a new way to study and construct the organic matter structural model of coal. (C) 2016 Elsevier Ltd. All rights reserved.
机译：煤炭是重要的化石能源。为了提高其使用效率，对其复杂结构的研究引起了全世界的关注。自1942年以来，提出了许多煤的分子水平模型。但是，它们不能反映出煤通过氧化生成的苯羧酸（BCA）的产率分布。本文研究了霍林河褐煤的有机物结构，并根据褐煤氧化产生的BCAs的收率分布，建立了褐煤有机物的新结构模型。通过最终分析，FTIR，XPS和C-13 NMR分析了霍林河褐煤，以研究其元素组成，有机官能团以及碳的类型和数量。首先，通过C-13 NMR的峰拟合计算了褐煤的各种碳结构参数。然后，结合BCA的产量，建立了褐煤模型的芳族簇。最后，结合最终分析结果，FTIR，XPS，13C NMR，羧基和酚羟基含量，建立了褐煤有机物的结构模型。结果表明，该模型的分子式为C3942H3666O883N50S11，分子量为66,150 amu。该模型不仅满足最终分析结果，FTIR，XPS，C-13 NMR以及羧基和酚羟基含量，而且可以解释褐煤氧化过程中BCA的生成，并满足BCA的收率分布。 。这项工作为研究和构造煤的有机质结构模型提供了新的途径。 （C）2016 Elsevier Ltd.保留所有权利。

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  • 来源
    《Fuel》 |2017年第1期|408-418|共11页
  • 作者

    Yang Fan; Hou Yucui; Wu Weize; Niu Muge; Ren Shuhang; Wang Qian;

  • 作者单位

    Beijing Univ Chem Technol, State Key Lab Chem Resource Engn, Beijing 100029, Peoples R China;

    Taiyuan Normal Univ, Dept Chem, Taiyuan 030031, Peoples R China;

    Beijing Univ Chem Technol, State Key Lab Chem Resource Engn, Beijing 100029, Peoples R China;

    Beijing Univ Chem Technol, State Key Lab Chem Resource Engn, Beijing 100029, Peoples R China;

    Beijing Univ Chem Technol, State Key Lab Chem Resource Engn, Beijing 100029, Peoples R China;

    Beijing Univ Chem Technol, State Key Lab Chem Resource Engn, Beijing 100029, Peoples R China;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    Benzene carboxylic acids; C-13 NMR; Structural model; Construction; Lignite;

    机译：苯甲酸;C-13 NMR;结构模型;结构;褐煤;

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