基于分子质量的煤沥青芳香分组成结构表征

Structural characterization of coal tar pitch aromatic component based on molecular weight

为获得分子水平上煤沥青中芳烃结构组成,采用超高分辨率的傅里叶变换离子回旋共振质谱(ESI FT-ICR MS)等分析手段,对煤沥青芳香分进行表征。研究结果表明,在正离子ESI模式下,在样品中共鉴定出12类不同分子组成的化合物,其中相对丰度较高的是芳烃类、N1和O1类化合物。根据各类化合物的DBE、碳数分布情况及分子量可知,芳烃化合物主要是5个碳环和6个碳环的稠环芳烃,且煤沥青中存在带有C1～C3烷基取代的5个苯环的稠环芳烃和带有C1～C2烷基取代的6个苯环的稠环芳烃。N1类化合物主要是喹啉类碱性氮化物,其中具有最高的相对丰度的N1类化合物母核结构为三苯并喹啉。鉴别出的O1类中性氧化物中含量最高的是可能含有4个苯环的呋喃类物质,O2类化合物含量很少,可能是呋喃类物质二聚体。

In order to obtain the structure composition of aromatic hydrocarbons in coal tar pitch at molecular level,the aromatic component was analyzed using the ESI FT-ICR MS.The results showed that twelve kinds of compounds were identified in the sample,the aromatic hydrocarbons,N1 and O1 compounds had higher relative abundance.According to DBE,carbon number distribution and molecular weight,aromatic compounds were mainly polycyclic aromatic hydrocarbons with five carbon rings and six carbon rings.There were five benzene rings with C1-C3 alkyl substitution and six benzene rings with C1-C2 alkyl substitution in coal tar pitch.The N1 compounds were mainly quinoline basic nitrides,and the parent nucleus structure of the N1 compounds with the highest relative abundance was triphenylquinoline.The highest concentration of the identified neutral oxides of class O1 maybe furan species contained four benzene rings,and the O2 compounds maybe a dimer of furan species.