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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
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
WOS HeadingsScience & Technology ; Physical Sciences
Indexed BySCI
WOS Research AreaChemistry
WOS SubjectChemistry, Physical
WOS IDWOS:000273849300011
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Cited Times:6[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
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.
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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
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