A new insight into the structure of Huolinhe lignite based on the yields of benzene carboxylic acids
A new insight into the structure of Huolinhe lignite based on the yields of benzene carboxylic acids
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基于苯甲酸产率对霍林河褐煤结构的新认识
DOI：
10.1016/j.fuel.2016.10.112
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发表时间：
2017-02
期刊：
影响因子：
7.4
通讯作者：
Wang Qian
中科院分区：
文献类型：
--
作者：
Yang Fan;Hou Yucui;Wu Weize;Niu Muge;Ren Shuhang;Wang Qian
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世界各国的广泛关注。自1942年以来，人们提出了许多煤的分子水平模型。但是，它们不能反映煤氧化生成的苯羧酸（BCAs）的产率分布。研究了霍林河褐煤的有机质结构特征，并根据褐煤氧化过程中BCAs的产率分布，建立了一个新的褐煤有机质结构模型。采用元素分析、FTIR、XPS和13 C NMR等方法研究了霍林河褐煤的元素组成、有机官能团、碳的种类和数量。首先，通过对13 C NMR谱峰的拟合，计算了褐煤的各种碳结构参数。然后，结合BCAs产率，建立了褐煤芳香簇模型。最后，结合元素分析、FTIR、XPS、13 C NMR以及羧基和酚羟基含量的分析结果，建立了褐煤有机质的结构模型。结果表明，该模型化合物的分子式为C3942H3666O883N50S11，分子量为66，150 amu。该模型不仅能满足元素分析、FTIR、XPS、13 C NMR以及羧基和酚羟基含量的测定结果，而且能较好地解释褐煤氧化过程中BCAs的生成，满足BCAs的产率分布。该工作为研究和构建煤有机质结构模型提供了一种新的途径。
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 and13C 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 of13C 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,13C 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.
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影响因子：
7.5
作者：
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期刊：
Mining Science and Technology (china)
影响因子：
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作者：
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DOI：
10.1021/bk-1984-0264.ch008
发表时间：
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期刊：
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影响因子：
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