Insights into the effect of water content on asphaltene aggregation behavior and crude oil rheology: A molecular dynamics simulation study
文献类型：期刊论文
| 作者 | Zhu, Bojin3; Yang, Menglong1,2; Yan, Youguo3; Zhong, Jie5; Li, Jiawei4; Li, Zhen3; Zhang, Jun3 |
| 刊名 | JOURNAL OF MOLECULAR LIQUIDS
 |
| 出版日期 | 2024-02-15 |
| 卷号 | 396页码:9 |
| 关键词 | W/O emulsions Water content Asphaltene polar adsorption Viscosity mechanism MD simulations |
| ISSN号 | 0167-7322 |
| DOI | 10.1016/j.molliq.2024.124042 |
| 通讯作者 | Li, Zhen(zhenli@upc.edu.cn) ; Zhang, Jun(zhangjun.upc@gmail.com) |
| 英文摘要 | In the production and transportation of crude oils, the interaction between asphaltene components and water is inevitable, significantly impacting asphaltene aggregation, deposition behaviors, emulsion stability, and rheological properties of crude oils. However, the comprehension of the oil-water interaction mechanisms and corresponding viscosity responses remains unclear. Hence, we performed molecular dynamics (MD) simulations to investigate the effect of varying water content on distinct asphaltene aggregation states and the rheological behavior of crude oils. The microscopic mechanisms underlying the aggregation and rheological properties were elucidated. Our MD results show that with the continuous introduction of water, the original bulk phase aggregation of asphaltenes undergoes a transition towards interfacial adsorption behavior, culminating in the formation of water-in-crude oil emulsions. The strength and driving forces of this interfacial adsorption are influenced by different polar functional groups of asphaltene. Besides, by elucidating the contributions of external molecular friction and internal structural deformation to the viscosity, two viscosity-influencing mechanisms are revealed. Furthermore, we delineate a physical viscosity scheme. These intriguing discoveries hold promise for advancing the comprehension of rheological behavior in crude oils with distinct aggregation states, providing theoretical guidance for efficient development of crude oils. |
| WOS关键词 | POLYCYCLIC AROMATIC-COMPOUNDS ; PARTICLE MESH EWALD ; HEAVY CRUDE ; DIGITAL OIL ; MODEL ; VISCOSITY ; EMULSIONS ; STABILIZATION ; TEMPERATURE ; ADSORPTION |
| 资助项目 | National Key R & D Program of China[2018YFA0702400] ; National Natural Science Foundation of China[51874332] |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:001167972500001 |
| 出版者 | ELSEVIER |
| 源URL | [http://ir.qdio.ac.cn/handle/337002/184592]  |
| 专题 | 海洋研究所_海洋腐蚀与防护研究发展中心 |
| 通讯作者 | Li, Zhen; Zhang, Jun |
| 作者单位 | 1.Chinese Acad Sci, Publ Lab, Qingdao 266000, Peoples R China 2.Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, CAS Key Lab Biofuels, Qingdao 266000, Peoples R China 3.China Univ Petr East China, Coll Mat Sci & Engn, Qingdao 266000, Peoples R China 4.Chinese Acad Sci, Inst Oceanol, Key Lab Marine Environm Corros & Biofouling, Qingdao 266071, Peoples R China 5.China Univ Petr East China, Coll Petr Engn, Qingdao 266000, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhu, Bojin,Yang, Menglong,Yan, Youguo,et al. Insights into the effect of water content on asphaltene aggregation behavior and crude oil rheology: A molecular dynamics simulation study[J]. JOURNAL OF MOLECULAR LIQUIDS,2024,396:9. |
| APA | Zhu, Bojin.,Yang, Menglong.,Yan, Youguo.,Zhong, Jie.,Li, Jiawei.,...&Zhang, Jun.(2024).Insights into the effect of water content on asphaltene aggregation behavior and crude oil rheology: A molecular dynamics simulation study.JOURNAL OF MOLECULAR LIQUIDS,396,9. |
| MLA | Zhu, Bojin,et al."Insights into the effect of water content on asphaltene aggregation behavior and crude oil rheology: A molecular dynamics simulation study".JOURNAL OF MOLECULAR LIQUIDS 396(2024):9. |
入库方式： OAI收割
来源：海洋研究所
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