CAS OpenIR  > 研究所(批量导入)
Molecular Design of Solvents for Extractive Distillation
Song, J.; Qi, T.; Qu, J. K.; Zhang, X. G.; Shen, W. F.
Conference NameInternational Conference on Chemical Engineering and Advanced Materials
Conference DateMAY 28-30, 2011
Conference PlaceChangsha, PEOPLES R CHINA
PublisherTrans Tech Publications Ltd
AbstractThis paper presents an optimization technology for the molecular design of environmentally friendly solvents for extractive distillation. The approach based on the concept of group contribution methods (GCM). To decrease the complexity and random of design problem, a set of functional groups are pre-selected based on the modified UNIFAC method. Combination of groups can produce different molecule, once the molecule is generated, the properties are evaluated to determine if it satisfy the criteria. The criteria include separation performance and environmental performance. Simulated annealing algorithm is used to search feasible molecular structures. The molecule transition strategies and parameters of algorithm are described detailedly. Finally, the method is demonstrated with two examples, and the design results show that the proposed technology is a valid technology to design the desirable solvents.
KeywordMolecular Design Solvents Extractive Distillation Unifac Optimization Algorithm Pure-component Properties Stochastic Optimization Chemicals Selection Toxicity Search Unifac Blends Model
Indexed ByISTP
Document Type会议论文
Recommended Citation
GB/T 7714
Song, J.,Qi, T.,Qu, J. K.,et al. Molecular Design of Solvents for Extractive Distillation[C]:Trans Tech Publications Ltd,2011:2938-2944.
Files in This Item:
File Name/Size DocType Version Access License
AMR-2011-233-235-293(304KB)会议论文 限制开放CC BY-NC-SAApplication Full Text
Related Services
Recommend this item
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Song, J.]'s Articles
[Qi, T.]'s Articles
[Qu, J. K.]'s Articles
Baidu academic
Similar articles in Baidu academic
[Song, J.]'s Articles
[Qi, T.]'s Articles
[Qu, J. K.]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Song, J.]'s Articles
[Qi, T.]'s Articles
[Qu, J. K.]'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.