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

	Molecular insights into the dispersibility of asphaltene and crude oil rheological properties under the effect of multi-alkylated aromatic amides
	Zhu, Bojin 1; Li, Zhen 1; Han, Tiankun 1; Yan, Youguo 1; Li, Jiawei 2; Zhang, Jun 1
	2024-03-05
发表期刊	CHEMICAL ENGINEERING SCIENCE
ISSN	0009-2509
卷号	285 页码:12
通讯作者	Zhang, Jun(zhangjun.upc@gmail.com)
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.
关键词	Asphaltene dispersibility Crude oil viscosity Molecular dynamics simulation Density function theory calculation
DOI	10.1016/j.ces.2023.119548
收录类别	SCI
语种	英语
资助项目	National Key R & D Program of China[2018YFA0702400] ; National Natural Science Foundation of China[52274054]
WOS研究方向	Engineering
WOS类目	Engineering, Chemical
WOS记录号	WOS:001126633100001
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS关键词	PARTICLE MESH EWALD ; WATER INTERFACE ; WAVE-FUNCTION ; DIGITAL OIL ; DYNAMICS ; HEAVY ; MODEL ; AGGREGATION ; VISCOSITY ; BEHAVIOR
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.qdio.ac.cn/handle/337002/184222
专题	海洋环境腐蚀与生物污损重点实验室
通讯作者	Zhang, Jun
作者单位	1.China Univ Petr East China, Coll Mat Sci & Engn, Qingdao 266000, Peoples R China 2.Chinese Acad Sci, Inst Oceanol, Key Lab Marine Environm Corros & Biofouling, Qingdao 266071, 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.