沙特常压渣油中含硫化合物的分子组成表征

Molecular characterization of sulfur-containing compounds in Saudi Arabia atmospheric residue

目前,对于重质油的研究主要以宏观性质为主,从分子层次进行表征少有报道。为了更加深入地了解重质油的组成,为下一步的加工处理提供更加详细而有效的信息。以沙特轻质原油常压渣油(SQAR)为原料,采用甲基衍生化的方法将非极性的含硫化合物转化为带有极性的甲基硫盐,正离子模式的电喷雾电离傅里叶变换离子回旋共振质谱仪分析原料中的杂原子化合物组成。结果表明:SQAR中杂原子化合物相对丰度由高至低依次为S_1、N_1、S_2、O_1S_1、N_1S_1、N_1O_1、N_1S_2、N_1O_2。相对丰度最高的为分子中包含一个硫原子的S_1类化合物。其中,DBE=6的苯并噻吩类含量最高,其次是DBE=9的二苯并噻吩类。和S_1类化合物相比,S_2类化合物的DBE和碳数分布范围更小,DBE=9的S_2类化合物相对丰度最高。

The macroscopic properties of heavy oil had been extensively studied. There are very few studies on characterizing of molecular level information. To having better understanding of the composition of heavy oil, and providing more detailed and effective information for further processing,the sulfur-containing compounds from Saudi Arabia atmospheric residue were converted to methyl sulfide salt with polarity using methyl derivatization method. Positive-ion electrospray ionization Fourier transform ion cyclotron resonance mass spectrometer（ESI FT-ICR MS）was employed to analyze the heteroatomic compounds. The results showed that the relative abundance of heteroatom compounds from high to low was：S1,N1,S2,O1S1,N1S1,N1O1,N1S2,and N1O2. S1 class species contained a sulfur atom that had the highest relative abundance. Among them,the relative abundance of benzothiophene homologues series（ DBE=6） was the highest, followed by dibenzothiophene homologues series（DBE=9）. Compared with S1 class species,the DBE and carbon number distribution of S2 were less. Meanwhile,S2 class species with 9 DBE had higher relative abundance.