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Molecular Dynamics Simulation of Self-Aggregation of Asphaltenes at an Oil/Water Interface: Formation and Destruction of the Asphaltene Protective Film
Liu J; Zhao YP(赵亚溥); Ren SL; Ren, SL (reprint author), Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R China.
Source PublicationENERGY & FUELS
2014-12
Volume29Issue:2Pages:1233-1242
ISSN0887-0624
AbstractIt is well known that asphaltene molecules play a significant role in stabilizing emulsions of water in crude oil or diluted bitumen solutions: Molecular dynamics simulations were employed to investigate the aggregation anti orientation behaviors of asphaltene molecules in a vacuum and at various water surfaces. Two different continental model asphaltene molecules were employed in this work. It was found that the initially disordered asphaltenes quickly self-assembled into ordered hanoaggregates consisting of several molecules, in which the aromatic rings in asphaltenes were reoriented to form a face-to-face stacked structure. More importantly, statistical analysis indicates that most of the stacked polycyclic aromatic planes of asphaltene nanoaggregates tend to be perpendicular to the water surface. Tithe asphaltene molecules are considered as "stakes", then the asphaltene nanoaggregate can be regarded as a "fence". All the fence,like nanoaggregates were twined and knitted together, which pinned them perpendicularly on the water surface to form a steady protective ail wrapping the water droplets. The mechanism of stabilization Of the water/oil emulsions is thereby well understood. Demulsification processes using a chemical demulsifier were also studied. It was observed that the asphaltene protective film was destroyed by a demulsifier of ethyl cellulose molecules, leading to exposure of the water droplet. The results obtained in this work will be of significance in guiding the development of demulsification technology.
Subject AreaEnergy & Fuels ; Engineering, Chemical
DOI10.1021/ef5019737
URL查看原文
Indexed BySCI ; EI
Language英语
WOS IDWOS:000349943300085
WOS KeywordOIL-WATER INTERFACE ; CRUDE-OIL ; SURFACE-CHEMISTRY ; LANGMUIR FILM ; MODEL ; EMULSIONS ; SPECTROSCOPY ; STABILITY ; NANOAGGREGATION ; REPRESENTATION
WOS Research AreaEnergy & Fuels ; Engineering
WOS SubjectEnergy & Fuels ; Engineering, Chemical
Funding OrganizationNational Natural Science Foundation of China [51374195] ; "100 Talents Program" by the Chinese Academy of Sciences (CAS)
DepartmentLNM纳/微系统力学与物理力学
Classification二类/Q1
Citation statistics
Cited Times:67[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/49911
Collection非线性力学国家重点实验室
Corresponding AuthorRen, SL (reprint author), Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R China.
Recommended Citation
GB/T 7714
Liu J,Zhao YP,Ren SL,et al. Molecular Dynamics Simulation of Self-Aggregation of Asphaltenes at an Oil/Water Interface: Formation and Destruction of the Asphaltene Protective Film[J]. ENERGY & FUELS,2014,29(2):1233-1242.
APA Liu J,Zhao YP,Ren SL,&Ren, SL .(2014).Molecular Dynamics Simulation of Self-Aggregation of Asphaltenes at an Oil/Water Interface: Formation and Destruction of the Asphaltene Protective Film.ENERGY & FUELS,29(2),1233-1242.
MLA Liu J,et al."Molecular Dynamics Simulation of Self-Aggregation of Asphaltenes at an Oil/Water Interface: Formation and Destruction of the Asphaltene Protective Film".ENERGY & FUELS 29.2(2014):1233-1242.
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