摘要
为得到煤液化残渣的平均分子结构模型,对神华煤加氢液化残渣依次使用正庚烷、甲苯、吡啶进行逐级萃取,分别得到正庚烷可溶物（HS）、正庚烷不溶-甲苯可溶物（HI-TS）以及甲苯不溶-吡啶可溶物（TI-PS）3种可溶组分。通过元素分析、凝胶渗透色谱（GPC）以及傅里叶变换红外光谱分析（FTIR）、核磁共振（NMR）等现代仪器分析手段,结合平均分子结构参数计算方程得到了3种可溶组分的平均分子式及平均分子结构模型。计算结果表明：HS,HI-TS,TI-PS组分的平均相对分子质量分别为198,448,722;平均分子式分别为C14.41H15.80N0.08O0.47S0.012,C33.49H25.90N0.25O1.07S0.015,C53.03H38.03N0.98O2.21S0.014;平均分子结构以缩合芳环结构单元为主,同时含有1~2个氮、氧杂环或脂肪环,含有一定的烷基侧链,芳香度高。
In order to obtain the average molecular structure of hydro-liquefaction residue, Shenhua coal hydro-lique- faction residue was extracted by n-heptane, toluene and pyridine, respectively, and the heptane soluble （ HS ）, heptane insoluble-toluene-soluble（HI-TS） and toluene insoluble-pyridine soluble（TI-PS） fractions were obtained. The samples were analyzed by means of elemental analysis, GPC, FFIR and NMR measurements. Combined with the equations for the average molecular structure parameters, the average molecular formula and the average molecular structure models of HS, HI-TS ,TI-PS were obtained. The average relative molecular weights of HS ,HI-TS and TI-PS are 198,448 and 722 and correspondingly their average molecule formulae are C14.41H15.50N0.08O0.47S0.012, C33.49H25.90N0.2501.07S0.015, C53.03 H38. 03 N0. 98 02. 21 S0. 014, respectively. The average molecular structure is mainly composed of condensed aromatic ring units, and contains 1-2 nitrogen, oxygen heteroeyclic ring or aliphatic ring. It also contains alkyl side chains and high aromatieity.
出处
《煤炭学报》
EI
CAS
CSCD
北大核心
2014年第A01期225-230,共6页
Journal of China Coal Society
关键词
加氢液化残渣
结构参数
可溶物
分子结构
hydro-liquefaction residue
structure parameter
soluble
molecular structure
