CAS OpenIR  > 研究所(批量导入)
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 Name10th International Conference on Chemical and Process Engineering
Pages1531-1536
Conference DateMAY 08-11, 2011
Conference PlaceFlorence, ITALY
PublisherAidic Servizi Srl
AbstractThe 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).
KeywordMolecular-dynamics Simulation Dissipative Particle Dynamics Asphaltenes
URL查看原文
Indexed ByISTP
Language英语
Document Type会议论文
Identifierhttp://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-SAApplication Full Text
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Xu, J. B.]'s Articles
[Zhang, S. F.]'s Articles
[Wu, H.]'s Articles
Baidu academic
Similar articles in Baidu academic
[Xu, J. B.]'s Articles
[Zhang, S. F.]'s Articles
[Wu, H.]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Xu, J. B.]'s Articles
[Zhang, S. F.]'s Articles
[Wu, H.]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.