Knowledge Management System Of Institute of process engineering,CAS
| Mesoscopic Simulation of Aggregate Structure and Stability of Heavy Crude Oil by GPU Accelerated DPD | |
| Xu, J. B.; Zhang, S. F.; Wu, H.; Zhao, Y. H.; Wen, H. | |
| 2011 | |
| Conference Name | 10th International Conference on Chemical and Process Engineering |
| Pages | 1531-1536 |
| Conference Date | MAY 08-11, 2011 |
| Conference Place | Florence, ITALY |
| Publisher | Aidic Servizi Srl |
| Abstract | The aggregate structure of heavy crude oil, influencing the rheology, dispersity, stability of water-in-oil emulsions, attracts much industrial attention. In this work, aggregate behavior of asphaltenes in heavy crude oil was explored by a DPD based mesoscale platform. GPU was used to accelerate the simulation, which gains over 20x speedup against the serial version DPD provided by Materials Studio and over 10x speedup against the parallel version of DPD provided by CULGI running on 5 CPU cores. Rigid body fragments, which represent the significant presence of fused aromatic rings structure in fractions such as asphaltenes and resins, were introduced into DPD. During the simulation, face to face, offset and T-shaped asphaltene aggregate structures were observed. The interlayer distance in well-ordered structure obtained from simulation was near 0.36 nm no matter which kind of model molecules, which agreed with experimental data (Trejo et al, 2009) well. The cluster size of asphaltene molecules was used to represent the stability of crude oil, which show that the stability of crude oil was independent on the concentration of saturate or aromatic with enough resin; if there was not enough resin to disperse asphaltene clusters, the ratio of saturate/aromatic must be limited to low values to maintain the oil stable. The relationship between concentration and stability of crude oil was consistent with Shell's work (Stankiewicz, et al, 2002). |
| Keyword | Molecular-dynamics Simulation Dissipative Particle Dynamics Asphaltenes |
| URL | 查看原文 |
| Indexed By | ISTP |
| Language | 英语 |
| Document Type | 会议论文 |
| Identifier | http://ir.ipe.ac.cn/handle/122111/11266 |
| Collection | 研究所（批量导入） |
| Recommended Citation GB/T 7714 | Xu, J. B.,Zhang, S. F.,Wu, H.,et al. Mesoscopic Simulation of Aggregate Structure and Stability of Heavy Crude Oil by GPU Accelerated DPD[C]:Aidic Servizi Srl,2011:1531-1536. |
| Files in This Item: | ||||||
| File Name/Size | DocType | Version | Access | License | ||
| Mesoscopic Simulatio（1079KB） | 会议论文 | 限制开放 | CC BY-NC-SA | Application Full Text | ||
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