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用核磁共振氢谱和红外光潜跟踪了大庆澄清油芳烃组份在液相炭化早期阶段的结构转变。结果表明,多环芳烃分子在热解初期首先脱去环烷上的氢转成芳环,同时发生烷基侧链C_α—C_β键的断裂,形成HS(正己烷可溶)组份。HS组份进一步反应,经烷基链C_α—C_β键断裂而诱发芳核缩合反应,生成更大的芳核分子,并随反应的深入进行,依次生成TS(正己烷不溶甲苯可溶)、PS(甲苯不溶吡啶可溶)及PI(吡啶不溶)等组份。在HS组份部分地转为TS、PS、PI的同时,自身也进一步发生烷基链的断裂。从而在反应中后期形成的TS、PS、PI也表现出烷基侧链的减少。与此同时,PI在生成和积累过程中,发生了脱氢缩合而成更多环数的中间相组份分子,这可从红外光谱1600cm~(-1)峰强逐渐下降证明。
The structure transition of the clear oil aromatics component in the early stage of liquid phase carbonization was traced by 1H NMR and IR. The results showed that the polycyclic aromatic hydrocarbons (PAHs) were first deprotonated from the naphthenic ring and turned into aromatic rings during the initial pyrolysis. At the same time, cleavage of the C_α-C_β bond on the side chain of the alkyl group occurred to form the HS (n-hexane soluble) component. HS component further reaction, the alkyl chain C_α-C_β bond rupture induced aromatic condensation reaction to generate larger aromatic nucleus molecules, and with the reaction in-depth, followed by the formation of TS (n-hexane insoluble toluene soluble), PS (Toluene insoluble pyridine soluble) and PI (pyridine insoluble) and other components. When the HS component is partially converted to TS, PS, and PI, the cleavage of the alkyl chain is further caused by itself. As a result, TS, PS and PI formed in the late stage of the reaction also showed a decrease of alkyl side chains. At the same time, during the process of formation and accumulation of PI, dehydrocondensation of intermediate phase components into more rings occurs, which is evidenced by the gradual decrease of peak intensity at 1600 cm -1 in the infrared spectrum.