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...
| 主要作者: | Mustafa, Siti Fatimah Zaharah |
|---|---|
| 格式: | Thesis |
| 語言: | 英语 |
| 出版: |
2018
|
| 主題: | |
| 在線閱讀: | http://eprints.utm.my/81416/1/SitiFatimahZaharahPFS2018.pdf |
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