GIEC OpenIR  > 中国科学院广州能源研究所
A novel method for evaluating effects of promoters on hydrate formation
Cai, Jing1,2,3; Xu, Chun-Gang1,2,3; Lin, Fu-Hua1,3; Yu, Hai-Zhu4,5; Li, Xiao-Sen1,2,3
2016-05-01
Source PublicationENERGY
Volume102Pages:567-575
AbstractBased on the SC (solute cavity) theory and the FMO (frontier molecular orbital analysis), a new method named as the SC-FMO method is established to investigate into the inherent characteristics of the hydrate formation and the effects of the hydrate promoters on the hydrate formation, and predict the hydrate structures. It is concluded from the experimental and theoretical computation results that the promoters with low frontier orbital energies, lone pairs and suitable ratios of the promoter molecular diameters to cavity diameters are favorable for moderating the hydrate formation conditions. Additionally, the water-insoluble cyclic compounds, TMS (trimethylene sulfide), CP (cyclopentane), and THT (tetrahydrothiophene) are adopted to form the binary hydrates together with methane (CH4). The hydrate structures are characterized by using Raman spectroscopy. The analysis results from the Raman spectra indicate that TMS, CP and THT encage into the medium 5(12)6(4) cavities of the structure II (sII) hydrates, while CH4 molecules not only occupy the small 5(12) cavities, but also compete into the medium 5(12)6(4) cavities with CP, THT or TMS molecules. The same results are predicted from the SC-FMO method. It proves that the SC-FMO is a promising method for predicting the hydrate structures and determining an excellent hydrate promoter. (C) 2016 Published by Elsevier Ltd.
SubtypeArticle
KeywordHydrates Water-insoluble Cyclic Compound Solute Cavity Theory Frontier Molecule Orbital Raman Spectroscopy
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
DOI10.1016/j.energy.2016.02.114
WOS Subject ExtendedThermodynamics ; Energy & Fuels
WOS KeywordX-RAY-DIFFRACTION ; COAL-BED METHANE ; CARBON-DIOXIDE ; PHASE-EQUILIBRIUM ; DISSOCIATION ENTHALPIES ; CLATHRATE HYDRATE ; NORMAL-BUTANE ; GAS-MIXTURE ; WATER ; SEPARATION
Indexed BySCI
Language英语
WOS SubjectThermodynamics ; Energy & Fuels
WOS IDWOS:000375889400051
Citation statistics
Document Type期刊论文
Identifierhttp://ir.giec.ac.cn/handle/344007/11440
Collection中国科学院广州能源研究所
Affiliation1.Chinese Acad Sci, Guangzhou Inst Energy Convers, Key Lab Gas Hydrate, Guangzhou 510640, Guangdong, Peoples R China
2.Chinese Acad Sci, Guangzhou Ctr Gas Hydrate Res, Guangzhou 510640, Guangdong, Peoples R China
3.Guangdong Key Lab New & Renewable Energy, Guangzhou, Guangdong, Peoples R China
4.Anhui Univ, Dept Chem, Hefei 230039, Peoples R China
5.Anhui Univ, Ctr Atom Engn Adv Mat, Hefei 230039, Peoples R China
First Author AffilicationGuangZhou Institute of Energy Conversion,Chinese Academy of Sciences
Recommended Citation
GB/T 7714
Cai, Jing,Xu, Chun-Gang,Lin, Fu-Hua,et al. A novel method for evaluating effects of promoters on hydrate formation[J]. ENERGY,2016,102:567-575.
APA Cai, Jing,Xu, Chun-Gang,Lin, Fu-Hua,Yu, Hai-Zhu,&Li, Xiao-Sen.(2016).A novel method for evaluating effects of promoters on hydrate formation.ENERGY,102,567-575.
MLA Cai, Jing,et al."A novel method for evaluating effects of promoters on hydrate formation".ENERGY 102(2016):567-575.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Cai, Jing]'s Articles
[Xu, Chun-Gang]'s Articles
[Lin, Fu-Hua]'s Articles
Baidu academic
Similar articles in Baidu academic
[Cai, Jing]'s Articles
[Xu, Chun-Gang]'s Articles
[Lin, Fu-Hua]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Cai, Jing]'s Articles
[Xu, Chun-Gang]'s Articles
[Lin, Fu-Hua]'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.