CAS OpenIR  > 多相复杂系统国家重点实验室
Dissipative Particle Dynamics Simulations on the Structure of Heavy Oil Aggregates
Zhang Sheng-Fei1,2; Sun Li-Li1,2; Xu Jun-Bo1; Zhou Han3; Wen Hao1; Wen, H
2010
Source PublicationACTA PHYSICO-CHIMICA SINICA
ISSN1000-6818
Volume26Issue:1Pages:57-65
AbstractHeavy oil is an extremely complex colloidal system where asphaltenes, as the core of micelles, are dispersed in the continuous phase of other saturated fractions. We used dissipative particle dynamics (DPD) to simulate the mesoscopic colloidal structure of heavy oil and to determine its effective factors. Coarse-grained DPD model molecules were constructed in accordance with molecular structures of the component fractions in heavy oil. A modification of the standard DPD program was used to calculate the motion of rigid polycyclic aromatic rings. The simulations show that the coarse-grained DPD models used in this paper predict the colloidal structure of heavy oil well. The ordered structure of micelles depends greatly on the molecular structure of asphaltenes. Higher ordered micelles contain highly fused aromatic rings whereas the alkyl side-chains exhibit dispersing behavior. Deflocculation of the resins was observed in the simulations. A critical concentration ratio for the resin and asphaltene exists. The coagulation of heavy oil occurs when the concentration ratio of resin and asphaltene is less than this critical value.
KeywordHeavy Oil Colloid Polydispersed System Self-association Supermolecular Structure Aggregate Structure Dissipative Particle Dynamics
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
DOI10.3866/PKU.WHXB20100126
Indexed BySCI
Language英语
WOS KeywordMESOSCOPIC SIMULATION ; MOLECULAR-DYNAMICS ; ASPHALTENE ; MORPHOLOGY ; HEPTANE ; TOLUENE
WOS Research AreaChemistry
WOS SubjectChemistry, Physical
WOS IDWOS:000273849300011
Citation statistics
Cited Times:6[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Version出版稿
Identifierhttp://ir.ipe.ac.cn/handle/122111/6238
Collection多相复杂系统国家重点实验室
Corresponding AuthorWen, H
Affiliation1.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China
2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China
3.SINOPEC, Res Inst Petr Proc, Beijing 100083, Peoples R China
Recommended Citation
GB/T 7714
Zhang Sheng-Fei,Sun Li-Li,Xu Jun-Bo,et al. Dissipative Particle Dynamics Simulations on the Structure of Heavy Oil Aggregates[J]. ACTA PHYSICO-CHIMICA SINICA,2010,26(1):57-65.
APA Zhang Sheng-Fei,Sun Li-Li,Xu Jun-Bo,Zhou Han,Wen Hao,&Wen, H.(2010).Dissipative Particle Dynamics Simulations on the Structure of Heavy Oil Aggregates.ACTA PHYSICO-CHIMICA SINICA,26(1),57-65.
MLA Zhang Sheng-Fei,et al."Dissipative Particle Dynamics Simulations on the Structure of Heavy Oil Aggregates".ACTA PHYSICO-CHIMICA SINICA 26.1(2010):57-65.
Files in This Item:
File Name/Size DocType Version Access License
重质油胶体聚集结构的耗散粒子动力学模拟_(910KB)期刊论文出版稿限制开放CC BY-NC-SAApplication Full Text
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Zhang Sheng-Fei]'s Articles
[Sun Li-Li]'s Articles
[Xu Jun-Bo]'s Articles
Baidu academic
Similar articles in Baidu academic
[Zhang Sheng-Fei]'s Articles
[Sun Li-Li]'s Articles
[Xu Jun-Bo]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Zhang Sheng-Fei]'s Articles
[Sun Li-Li]'s Articles
[Xu Jun-Bo]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.