毕节与龙岩无烟煤结构模型构建及表征对比研究  

Model construction and characterization comparative study of Bijie and Longyan anthracites structure

作　　者：冯志忠 严国超[1] FENG Zhizhong;YAN Guochao(Taiyuan University of Technology,Taiyuan 030024,China)

机构地区：[1]太原理工大学,山西太原030024

出　　处：《矿业安全与环保》2022年第1期27-33,共7页Mining Safety & Environmental Protection

基　　金：国家自然科学基金面上项目(51974195)。

摘　　要：通过工业分析和元素分析测试技术,结合固体核磁共振碳谱(^(13)C-NMR)、傅里叶变换红外光谱(FTIR)和X射线光电子能谱(XPS)科学手段,对毕节和龙岩地区的无烟煤进行结构表征。结果表明:(1)毕节无烟煤结构的桥碳比为0.16;芳香族结构为苯环、萘和吡咯,个数分别为7、8、1;脂肪族结构由氧接脂碳和甲基构成,个数分别为4、5;杂原子结构由个数均为1的酚羟基、羰基、羧基、吡咯及硫酚和4个醚组成。(2)龙岩无烟煤结构的桥碳比为0.29;芳香族结构由1个苯环、5个萘、4个蒽、1个菲和1个吡咯组成;脂肪族结构由氧接脂碳和甲基组成,个数分别为2、1;杂原子结构由羰基、醚、吡咯、酚羟基和硫酚构成,其对应个数分别为2、2、1、1和1。初步构建了毕节无烟煤(C_(148)H_(75)O_(8)NS)和龙岩无烟煤(C_(152)H_(77)O_(5)NS)大分子平面结构模型,由其结构模型发现毕节和龙岩地区的无烟煤在二维层位上有很大的相似性,且均趋于石墨化。The structure of anthracite in Bijie(BJ)and Longyan(LY)area was characterized by using proximate analysis and ultimate analysis testing technology,combined with solid nuclear magnetic resonance carbon spectroscopy(^(13)C-NMR),Fourier transform infrared spectroscopy(FTIR)and X-ray photoelectron spectroscopy(XPS)scientific methods.The results show that:(1)the bridging carbon ratio of BJ anthracite structure is 0.16;the aromatic structure is benzene ring,naphthalene and pyrrole,the numbers of which are 7,8 and 1 respectively;the aliphatic carbon structure is composed of oxygen-bonded adipose carbon and methyl group,the number of which are 4 and 5 respectively;the heteroatom structure is composed of phenolic hydroxyl group,carbonyl group,carboxyl group,pyrrole and thiophenol with all 1,and 4 ethers.(2)the bridging carbon ratio of LY anthracite structure is 0.29;the aromatic structure is composed of 1 benzene ring,5 naphthalenes,4 anthracenes,1 phenanthrene and 1 pyrrole;the aliphatic carbon structure is composed of oxygen-bonded adipose carbon and methyl group,the number of which are 2 and 1 respectively;the heteroatom structure is composed of carbonyl,ether,pyrrole,phenolic hydroxyl and thiophenol,and the corresponding numbers are 2,2,1,1 and 1 respectively.The BJ anthracite(C_(148)H_(75)O_(8)NS)and LY anthracite(C_(152)H_(77)O_(5)NS)macromolecular plane structure models are preliminarily constructed.According to its structural model,it is found that the anthracites in BJ and LY areas have great similarity in the two-dimensional layer,and both tend to be graphitized.

关 键 词：无烟煤 分子结构 核磁共振碳谱 X射线光电子能谱 分子模型 结构表征 

分 类 号：TD714[矿业工程—矿井通风与安全] TQ530[化学工程—煤化学工程]