风城稠油胶质组分分析及聚集形态研究

摘要

采用硅胶柱色谱分离风城稠油中的胶质,结合元素分析、红外光谱(FT-IR)、核磁共振(NMR)、X射线光电子能谱分析(XPS)等方法分析其结构组成,并用1 H NMR/IR法计算胶质的平均结构参数和平均分子式.结果表明:风城稠油中胶质为含有杂环芳烃、长碳链烷烃及N,O,S等杂原子的极性分子,其中O元素主要以醚氧健的形式存在,N原子多以吡咯和吡啶形式存在;平均相对分子质量为3 773,平均分子中结构单元数为6.57,平均结构单元式为C39H55O2N.采用分子动力学模拟计算胶质在甲苯和正庚烷中的聚集形态,结果表明正庚烷有利于胶质分子聚集态形成,甲苯有利于胶质分子分散.%Resin in Fengcheng heavy crude was separated by silica gel column chromatography.The compositions and structures of the resin were characterized by elemental analysis,FT-IR,NMR and XPS.The average structural parameters and average molecular formulas of the resin were determined by1H NMR/IR method.The results showed that the resin in Fengcheng heavy crude is polar molecules containing heterocyclic aromatics,n-alkanes and N,O and S atoms.Oxygen atoms exist mainly in the form of ether oxygen and N atoms are mostly in the form of pyrrole and pyridine.The average molecular weight of the resin is 3 773,the number of average structural units(n) is 6.57 and the average structure unit formula is C39H55O2 N.In addition,the aggregation behaviors of the resin in heptane and toluene were also discussed by molecular dynamics simulation method.It is showed that the resin can form stable aggregate system in heptane,however toluene is good for diffusion of resin molecules.