Molecular insights into the dispersibility of asphaltene and crude oil rheological properties under the effect of multi-alkylated aromatic amides
文献类型：期刊论文
| 作者 | Zhu, Bojin2; Li, Zhen2; Han, Tiankun2; Yan, Youguo2; Li, Jiawei1; Zhang, Jun2 |
| 刊名 | CHEMICAL ENGINEERING SCIENCE
 |
| 出版日期 | 2024-03-05 |
| 卷号 | 285页码:12 |
| ISSN号 | 0009-2509 |
| 关键词 | Asphaltene dispersibility Crude oil viscosity Molecular dynamics simulation Density function theory calculation |
| 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. |
| WOS关键词 | PARTICLE MESH EWALD ; WATER INTERFACE ; WAVE-FUNCTION ; DIGITAL OIL ; DYNAMICS ; HEAVY ; MODEL ; AGGREGATION ; VISCOSITY ; BEHAVIOR |
| 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 |
| 语种 | 英语 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| WOS记录号 | WOS:001126633100001 |
| 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. |
入库方式： OAI收割
来源：海洋研究所
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