塔河沥青质超分子体系的初步探索

发布时间：2018-05-29 10:51

本文选题：沥青质 + 超分子　；参考：《石油学报(石油加工)》2017年01期

【摘要】：以塔河沥青质作为研究对象,对沥青质的超分子体系进行了初步探索。采用动态光散射方法证明了沥青质可以在甲苯溶液中形成超分子结构,基于对沥青质分子结构的认识,利用分子模拟技术研究了形成沥青质超分子结构的分子间作用力,重点考察了氢键、酸碱作用、π-π相互作用以及沥青质分子和金属卟啉化合物之间的配位作用。在这几种分子间作用力中,沥青质分子间的π-π相互作用的能量最大,并随沥青质分子聚集数的增多而增大,是使沥青质形成超分子的最主要推动力。此外,采用甲基化改性方法去掉沥青质分子上的活泼氢,破坏沥青质分子间的氢键及酸碱作用,然后比较其聚集体与沥青质聚集体的差异;结果表明,前者的尺寸要明显小于后者的尺寸,说明通过活泼H而形成的分子间氢键以及酸碱作用与沥青质超分子的尺寸关系最为密切。
[Abstract]:The supramolecular system of asphaltene in Tahe River was studied. The dynamic light scattering method was used to prove that asphaltene can form supramolecular structure in toluene solution. Based on the understanding of asphaltene molecular structure, the intermolecular forces forming asphaltene supramolecular structure were studied by molecular simulation technique. The hydrogen bond, acid-base interaction, 蟺-蟺 interaction and the coordination between asphaltene molecules and metalloporphyrin compounds were investigated. Among these intermolecular forces, the 蟺-蟺 interaction between asphaltene molecules has the largest energy and increases with the increase of the aggregation number of asphaltene molecules, which is the main driving force for the formation of supramolecular asphaltene. In addition, the active hydrogen on asphaltene molecules was removed by methylation modification, the hydrogen bond and acid-base interaction between asphaltene molecules were destroyed, and the differences between the aggregates and asphaltene aggregates were compared. The size of the former is obviously smaller than that of the latter, indicating that the intermolecular hydrogen bond formed by active H and the acid-base interaction are most closely related to the size of asphaltene supramolecular.
【作者单位】：中国石化石油化工科学研究院;
【基金】：国家重大基础研究发展计划“973”项目(2012CB224801)资助
【分类号】：TE622

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