Effect of ultrasonic treatment on the unit structure of pre-and post-hydrotreating asphaltenes
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摘要: 以胜利减渣和沙轻减渣为原料,研究了超声波处理对加氢反应前后沥青质单元分子结构的影响,并结合1H-NMR数据、沥青质单元分子参数变化和红外光谱分析等结果,用Chem Bio Draw Ultra 2012模拟出不同条件下两种沥青质单元分子的结构。结果表明,超声波处理减少了沥青质的缔合数,使沥青质单元分子发生开环反应和脱烷基侧链反应加剧,改变了沥青质单元分子的结构,对加氢后沥青质单元分子的结构和组成产生重要影响。沥青质单元分子模型可形象体现超声波处理对加氢反应前后沥青质单元分子化学结构的影响,有助于在分子水平上解释超声波处理影响沥青质单元分子的原因。Abstract: The effect of ultrasonic treatment on the unit structure of pre-and post-hydrotreating asphaltenes were investigated with Shengli vacuum residue and Saudi Arabia light vacuum residue as raw materials. The unit molecular structures of the asphaltenes were analyzed through simulation with the software Chem Bio Draw Ultra version 2012, combining with the data of 1H-NMR, FT-IR and structural parameters of asphaltene units. The results showed that the association number is decreased by ultrasonic treatment, as it can reinforce the ring opening and desorption of alkyl side chain of the asphaltene unit and then exhibits a significant influence on the structure of asphaltene unit after hydrotreating. The model used here can vividly reflect the influence of ultrasonic treatment on the chemical structure of pre-and post-hydrotreating asphaltene unit at molecular level.
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Key words:
- ultrasonic treatment /
- asphaltene unit /
- molecular simulation /
- structure parameters /
- hydrotreating
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