分子动力学
十二烷
肺表面活性物质
表面张力
吸附
化学物理
沥青质
化学工程
离解(化学)
分子
材料科学
化学
聚结(物理)
热力学
计算化学
物理
有机化学
工程类
天体生物学
作者
Baoliang Peng,Shaofei Xiao,Yuanyuan Wang,Qu Zhou,Lingfang Yuan,Weidong Liu,Qingfeng Hou,Xianqiong Tang,Yong Pei
标识
DOI:10.1080/08927022.2022.2072494
摘要
The adsorption behaviours of three typical surfactants at n-dodecane–water and n-dodecane + asphaltene–water interfaces were systematically studied by atomic molecular dynamics (MD) simulation. The theoretical simulation results show that surfactants and asphaltene molecules have different synergistic effects in reducing interfacial tension. For surfactants SDBS and OP-10, the increase of interfacial concentration leads to the dissociation of asphaltene molecular aggregation structure and the further reduction of interfacial tension. However, DTAB showed the opposite effect. The increase of surfactant interfacial concentration leads to the increase of asphaltene aggregation. With the increase of surfactant interfacial concentration, the interaction between surfactant and asphaltene is not conducive to further reduce the interfacial tension.
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