Dissipative Particle Dynamics Simulations on the Structure of Heavy Oil Aggregates
文献类型：期刊论文
| 作者 | Zhang Sheng-Fei1,2; Sun Li-Li1,2; Xu Jun-Bo1; Zhou Han3; Wen Hao1 |
| 刊名 | ACTA PHYSICO-CHIMICA SINICA
 |
| 出版日期 | 2010 |
| 卷号 | 26期号:1页码:57-65 |
| 关键词 | Heavy oil Colloid Polydispersed system Self-association Supermolecular structure Aggregate structure Dissipative particle dynamics |
| ISSN号 | 1000-6818 |
| 通讯作者 | Wen, H |
| 英文摘要 | Heavy 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. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Physical |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | MESOSCOPIC SIMULATION ; MOLECULAR-DYNAMICS ; ASPHALTENE ; MORPHOLOGY ; HEPTANE ; TOLUENE |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000273849300011 |
| 公开日期 | 2013-11-27 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/6238]  |
| 专题 | 过程工程研究所_多相复杂系统国家重点实验室 |
| 作者单位 | 1.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 |
| 推荐引用方式 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.(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. |
入库方式： OAI收割
来源：过程工程研究所
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