Micromechanism of Petroleum Asphaltene Aggregation
详细信息
- 责任者：Lu Guiwu （Department of Mathematics and Physics ; China University of Petroleum ; Beijing 102249 ; China） ; Li Yingfeng
- 刊名：Petroleum Exploration and Development
- 出版年：2008
- 卷期：35(1)
- 关键词：沥青 ; asphalt
- 页码：p.67-72
- 图表：5 illus., 1 table, 16 refs.
- 分类号：0600
- issnNo：ISSN1000-0747
- isbnNo：CN11-2360/TE
摘要
The periodic molecular structure model of solvent-asphaltene system is constructed using molecular mechanical and molecular dynamical methods. The influences of six solvents (Nitrobenzene, Quinoline, Pyridine, 1-methylnaphthalene, Dibromomethane, Benzene) on the aggregate process of asphaltene molecules are investigated at normal temperature and higher temperatures. According to the analyses of structure and energy, the main interaction for the asphaltene aggregate is determined, and the influencing mechanism for the asphaltene stability in different solvents is discussed at 300K and 573K temperatures. It is found that VDW interaction plays an important role in the stability of the asphaltene aggregate. The electrostatic interaction is small compared to the VDW interaction. And the π-π interaction is the leading force for the aggregation of asphaltene molecules. The presence of heteroatom might be the major reason for the asphaltene polymerization. Benzene and nitrobenzene have a prominent inhibiting or disassociating effect on the asphaltene aggregation, and they can be chosen as inhibiting and scavenging agents.