Molecular insights into the dispersibility of asphaltene and crude oil rheological properties under the effect of multi-alkylated aromatic amides

doi:10.1016/j.ces.2023.119548

CORC > 海洋研究所 > 中国科学院海洋研究所 > 海洋腐蚀与防护研究发展中心

	Molecular insights into the dispersibility of asphaltene and crude oil rheological properties under the effect of multi-alkylated aromatic amides
	Zhu, Bojin 2; Li, Zhen 2; Han, Tiankun 2; Yan, Youguo 2; Li, Jiawei 1; Zhang, Jun 2
刊名	CHEMICAL ENGINEERING SCIENCE
	2024-03-05
卷号	285 页码:12
关键词	Asphaltene dispersibility Crude oil viscosity Molecular dynamics simulation Density function theory calculation
ISSN号	0009-2509
DOI	10.1016/j.ces.2023.119548
通讯作者	Zhang, Jun(zhangjun.upc@gmail.com)
英文摘要	In crude oil development, it is important to improve the dispersibility of asphaltene (ASP), and to achieve viscosity reduction. Adding dispersants is a promising solution to postpone the ASP deposition, nevertheless, the effect of dispersants to the oil viscosity is at odds. To provide insight into the role and mechanisms of ASP dispersants in regulating the dispersibility of ASP and the oil rheological properties, we performed computational simulation studies. It is demonstrated that MAA dispersants adsorb onto ASP clusters via the polar interaction, isolating ASP clusters and preventing further aggregation. In addition, dispersed ASP molecules present stronger intermolecular friction with light-weighted components and the hydrogen bond spatial network can be enhanced, thereby leading to the increase of oil viscosity. These molecular insights help to understand the association of crude oil rheological properties with ASP dispersibility, which is expected to facilitate the future development of chemical agents for crude oil recovery.
资助项目	National Key R & D Program of China[2018YFA0702400] ; National Natural Science Foundation of China[52274054]
WOS关键词	PARTICLE MESH EWALD ; WATER INTERFACE ; WAVE-FUNCTION ; DIGITAL OIL ; DYNAMICS ; HEAVY ; MODEL ; AGGREGATION ; VISCOSITY ; BEHAVIOR
WOS研究方向	Engineering
语种	英语
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号	WOS:001126633100001
内容类型	期刊论文
源URL	[http://ir.qdio.ac.cn/handle/337002/184221]
专题	海洋研究所_海洋腐蚀与防护研究发展中心
通讯作者	Zhang, Jun
作者单位	1.Chinese Acad Sci, Inst Oceanol, Key Lab Marine Environm Corros & Biofouling, Qingdao 266071, Peoples R China 2.China Univ Petr East China, Coll Mat Sci & Engn, Qingdao 266000, Peoples R China
推荐引用方式 GB/T 7714	Zhu, Bojin,Li, Zhen,Han, Tiankun,et al. Molecular insights into the dispersibility of asphaltene and crude oil rheological properties under the effect of multi-alkylated aromatic amides[J]. CHEMICAL ENGINEERING SCIENCE,2024,285:12.
APA	Zhu, Bojin,Li, Zhen,Han, Tiankun,Yan, Youguo,Li, Jiawei,&Zhang, Jun.(2024).Molecular insights into the dispersibility of asphaltene and crude oil rheological properties under the effect of multi-alkylated aromatic amides.CHEMICAL ENGINEERING SCIENCE,285,12.
MLA	Zhu, Bojin,et al."Molecular insights into the dispersibility of asphaltene and crude oil rheological properties under the effect of multi-alkylated aromatic amides".CHEMICAL ENGINEERING SCIENCE 285(2024):12.