Diffusional and conformational behaviour of hexadecane-1,16-diol and hexadecane enclathration in three-dimensional nanoporous urea inclusion compound model systems via molecular dynamics simulation
Diffusion and molecular conformation are essential characteristics that could be employed to comprehend the dynamics behaviour of molecules in a nanoporous host-guest system. We have performed here a molecular dynamics simulation on hexadecane-1,16-diol and hexadecane guests in the three-dimensional...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Published: |
Elsevier B.V.
2020
|
| Subjects: | |
| Online Access: | http://eprints.utm.my/id/eprint/91248/ http://dx.doi.org/10.1016/j.commatsci.2020.109606 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Be the first to leave a comment!