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Insights into the effect of water content on asphaltene aggregation behavior and crude oil rheology: A molecular dynamics simulation study
Zhu, Bojin1; Yang, Menglong2,3; Yan, Youguo1; Zhong, Jie4; Li, Jiawei5; Li, Zhen1; Zhang, Jun1
2024-02-15
Source PublicationJOURNAL OF MOLECULAR LIQUIDS
ISSN0167-7322
Volume396Pages:9
Corresponding AuthorLi, Zhen(zhenli@upc.edu.cn) ; Zhang, Jun(zhangjun.upc@gmail.com)
AbstractIn 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.
KeywordW/O emulsions Water content Asphaltene polar adsorption Viscosity mechanism MD simulations
DOI10.1016/j.molliq.2024.124042
Indexed BySCI
Language英语
Funding ProjectNational Key R & D Program of China[2018YFA0702400] ; National Natural Science Foundation of China[51874332]
WOS Research AreaChemistry ; Physics
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS IDWOS:001167972500001
PublisherELSEVIER
WOS KeywordPOLYCYCLIC AROMATIC-COMPOUNDS ; PARTICLE MESH EWALD ; HEAVY CRUDE ; DIGITAL OIL ; MODEL ; VISCOSITY ; EMULSIONS ; STABILIZATION ; TEMPERATURE ; ADSORPTION
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Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.qdio.ac.cn/handle/337002/184593
Collection海洋环境腐蚀与生物污损重点实验室
Corresponding AuthorLi, Zhen; Zhang, Jun
Affiliation1.China Univ Petr East China, Coll Mat Sci & Engn, Qingdao 266000, Peoples R China
2.Chinese Acad Sci, Publ Lab, Qingdao 266000, Peoples R China
3.Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, CAS Key Lab Biofuels, Qingdao 266000, Peoples R China
4.China Univ Petr East China, Coll Petr Engn, Qingdao 266000, Peoples R China
5.Chinese Acad Sci, Inst Oceanol, Key Lab Marine Environm Corros & Biofouling, Qingdao 266071, Peoples R China
Recommended Citation
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.
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