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, Jun-Bo2; Zhanga, Sheng-Fei2,3; Wu, Hao1; Zhao, Yue-Hong2; Wen, Hao2 |
| 出版日期 | 1905-07-03 |
| 关键词 | Stability - Emulsions - Aggregates - Aromatic compounds - Graphics processing unit - Molecules - Resins - Crude oil |
| 卷号 | 24 |
| DOI | 10.3303/CET1124256 |
| 页码 | 1531-1536 |
| 英文摘要 | 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 lOx 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). 漏 2011, AIDIC Servizi S.r.l. |
| 资助机构 | Italian Association of Chemical Engineering - AIDIC |
| 学科主题 | Asphaltenes |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/59490]  |
| 作者单位 | 1.NVIDIA Corporation, No.l, 2nd North Lane, ZhongGuanCun, Beijing 100190, China 2.State Key Laboratory of Multi-Phase Complex System, Institute of Process Engineering, Chinese Academy of Sciences, China 3.Graduate University of Chinese Academy of Sciences, China |
| 推荐引用方式 GB/T 7714 | Xu, Jun-Bo,Zhanga, Sheng-Fei,Wu, Hao,et al. Mesoscopic simulation of aggregate structure and stability of heavy crude oil by GPU accelerated DPD[C]. 见:. |
入库方式： OAI收割
来源：过程工程研究所
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