Mesoscopic Simulation of Aggregate Structure and Stability of Heavy Crude Oil by GPU Accelerated DPD
文献类型：会议论文
| 作者 | Xu, J. B.; Zhang, S. F.; Wu, H.; Zhao, Y. H.; Wen, H. |
| 出版日期 | 2011 |
| 会议名称 | 10th International Conference on Chemical and Process Engineering |
| 会议日期 | MAY 08-11, 2011 |
| 会议地点 | Florence, ITALY |
| 关键词 | MOLECULAR-DYNAMICS SIMULATION DISSIPATIVE PARTICLE DYNAMICS ASPHALTENES |
| 页码 | 1531-1536 |
| 中文摘要 | 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). |
| 收录类别 | ISTP |
| 会议网址 | |
| 会议录出版者 | Aidic Servizi Srl |
| 语种 | 英语 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/11266]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 推荐引用方式 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]. 见:10th International Conference on Chemical and Process Engineering. Florence, ITALY. MAY 08-11, 2011. |
入库方式： OAI收割
来源：过程工程研究所
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