Molecular dynamics simulation of guest diffusional and conformational behaviour of hexadecane-1,16-diol and hexadecane in urea inclusion compound models
Urea inclusion compounds are organic crystalline complexes that are potential candidates for molecular separator of long chain alkanes. A well-defined structure of the crystalline tunnel systems constructed from hydrogen bonding arrangement of urea molecules can be used to comprehend the fundamental...
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| フォーマット: | 学位論文 |
| 言語: | 英語 |
| 出版事項: |
2018
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| オンライン･アクセス: | http://eprints.utm.my/81416/1/SitiFatimahZaharahPFS2018.pdf |