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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| Format: | Thesis |
| Language: | English |
| Published: |
2018
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| Online Access: | http://eprints.utm.my/id/eprint/81416/1/SitiFatimahZaharahPFS2018.pdf http://eprints.utm.my/id/eprint/81416/ http://dms.library.utm.my:8080/vital/access/manager/Repository/vital:125165 |
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