The aggregation and diffusion of asphaltenes studied by GPU-accelerated dissipative particle dynamics
文献类型：期刊论文
| 作者 | Wang, Sibo1,2; Xu, Junbo1; Wen, Hao1 |
| 刊名 | COMPUTER PHYSICS COMMUNICATIONS
 |
| 出版日期 | 2014-12-01 |
| 卷号 | 185期号:12页码:3069-3078 |
| 关键词 | Asphaltenes Aggregation DPD The quaternion method GPU |
| ISSN号 | 0010-4655 |
| 其他题名 | Comput. Phys. Commun. |
| 中文摘要 | The heavy crude oil consists of thousands of compounds and much of them have large molecular weights and complex structures. Studying the aggregation and diffusion behavior of asphaltenes can facilitate the understanding of the heavy crude oil. In previous studies, the fused aromatic rings were treated as rigid bodies so that dissipative particle dynamics (DPD) integrated with the quaternion method can be used to study asphaltene systems. In this work, DPD integrated with the quaternion method is implemented on graphics processing units (GPUs). Compared with the serial program, tens of times speedup can be achieved when simulations performed on a single GPU. Using multiple GPUs can provide faster computation speed and more storage space for simulations of significant large systems. By using large systems, simulations of the asphaltene toluene system at extremely dilute concentrations can be performed. The determined diffusion coefficients of asphaltenes are similar to that in experimental studies. At last, the aggregation behavior of asphaltenes in heptane was investigated, and the simulation results agreed with the modified Yen model. Monomers, nanoaggregates and clusters were observed from the simulations at different concentrations. (C) 2014 Elsevier B.V. All rights reserved. |
| 英文摘要 | The heavy crude oil consists of thousands of compounds and much of them have large molecular weights and complex structures. Studying the aggregation and diffusion behavior of asphaltenes can facilitate the understanding of the heavy crude oil. In previous studies, the fused aromatic rings were treated as rigid bodies so that dissipative particle dynamics (DPD) integrated with the quaternion method can be used to study asphaltene systems. In this work, DPD integrated with the quaternion method is implemented on graphics processing units (GPUs). Compared with the serial program, tens of times speedup can be achieved when simulations performed on a single GPU. Using multiple GPUs can provide faster computation speed and more storage space for simulations of significant large systems. By using large systems, simulations of the asphaltene toluene system at extremely dilute concentrations can be performed. The determined diffusion coefficients of asphaltenes are similar to that in experimental studies. At last, the aggregation behavior of asphaltenes in heptane was investigated, and the simulation results agreed with the modified Yen model. Monomers, nanoaggregates and clusters were observed from the simulations at different concentrations. (C) 2014 Elsevier B.V. All rights reserved. |
| WOS标题词 | Science & Technology ; Technology ; Physical Sciences |
| 类目[WOS] | Computer Science, Interdisciplinary Applications ; Physics, Mathematical |
| 研究领域[WOS] | Computer Science ; Physics |
| 关键词[WOS] | CRITICAL NANOAGGREGATE CONCENTRATION ; GRAPHICS PROCESSING UNITS ; MOLECULAR-DYNAMICS ; MESOSCOPIC SIMULATION ; MODEL ; CONDUCTIVITY ; MESOSCALE |
| 收录类别 | SCI |
| 原文出处 | http://www.sciencedirect.com/science/article/pii/S0010465514002604 |
| 语种 | 英语 |
| WOS记录号 | WOS:000344824900001 |
| 公开日期 | 2015-04-01 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/11849]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | 1.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Sibo,Xu, Junbo,Wen, Hao. The aggregation and diffusion of asphaltenes studied by GPU-accelerated dissipative particle dynamics[J]. COMPUTER PHYSICS COMMUNICATIONS,2014,185(12):3069-3078. |
| APA | Wang, Sibo,Xu, Junbo,&Wen, Hao.(2014).The aggregation and diffusion of asphaltenes studied by GPU-accelerated dissipative particle dynamics.COMPUTER PHYSICS COMMUNICATIONS,185(12),3069-3078. |
| MLA | Wang, Sibo,et al."The aggregation and diffusion of asphaltenes studied by GPU-accelerated dissipative particle dynamics".COMPUTER PHYSICS COMMUNICATIONS 185.12(2014):3069-3078. |
入库方式： OAI收割
来源：过程工程研究所
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