Mechanistic Study of the Effects of Surfactants and Asphaltenes on the Action of Emulsions with Different Water Contents: Based on Dissipative Particle Dynamics

耗散颗粒动力学模拟 沥青质 化学 肺表面活性物质 乳状液 化学工程 破乳剂 回转半径 吸附 粒子(生态学) 化学物理 分子 色谱法 有机化学 聚合物 海洋学 地质学 工程类 生物化学
作者
Chonghao Liang,Xiaoyan Liu,Yongying Jia,Hui Jiang,Ying Xu
出处
期刊:Energy & Fuels [American Chemical Society]
卷期号:38 (9): 7758-7772 被引量:2
标识
DOI:10.1021/acs.energyfuels.4c00363
摘要

Surface-active substances have an important influence on the performance of emulsions during crude oil production and processing. The mechanism of action of surface-active substances in emulsions with high and low water contents was investigated. The conformational changes of emulsions at different water contents in relation to the behavior of surfactant and asphaltene molecules in the system as well as the energy changes of the system were investigated from a microscopic point of view by using the dissipative particle dynamics (DPD) method. Through the analysis of DPD simulation snapshots and relative concentration distributions, it was found that there were differences in the effects of different surfactants on the conformation of oil–water emulsions at high and low water contents. Synergistic or competitive adsorption of asphaltenes and surfactants in the system affects the conformation of the emulsion. The change in the emulsion conformation in the compounding system is accompanied by the change in system energy. Based on the analysis of the radial distribution function and system energy, it was found that the intermolecular interactions between asphaltenes and surfactants in the complexed system were related to the change in system internal energy. The analysis of the radius of gyration shows that the water content of the system and the change in the complexing system will have different effects on the flexibility of the surfactant molecules in the system.
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