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OALib Journal期刊
ISSN: 2333-9721
费用：99美元
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上湾煤及其惰质组富集物的结构表征与模型构建
, PP. 641-648
Keywords: 煤,惰质组富集物,13c-nmr,芳香度,模型构建
Abstract:
？对神东上湾煤(sdr)及其岩相分离所得惰质组富集物(sdi)分别进行核磁(13c-nmr)、红外光谱(ft-ir)和x射线光电子能谱(xps)表征,得到煤结构单元信息,与元素分析数据相结合构建了sdr和sdi的结构模型,用acd/cnmrpredictor软件计算结构模型的13c化学位移。结果表明,sdr芳香结构主要是缩合程度为2的萘,sdi主要是菲和萘,sdi较sdr结构芳香度较高,两个结构中氧主要以羰基氧和羟基氧的形式存在,氮主要以吡咯和吡啶形式存在,两个结构模型计算得到核磁谱图与实验谱图吻合较好,结构式分别为c181h136n2o24和c186h148n2o22。
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