Molecular dynamics simulation for self-diffusion coefficients of ginger bioactive compounds in subcritical water with and without ethanol
Molecular dynamics simulation was used to calculate the self-diffusion coefficients of ginger bioactive compounds (6-gingerol and 6-shogaol) in subcritical water with the presence of ethanol as an entrainer (0-10mol%) at temperatures from 373.15 to 453.15K. The all-atom optimised-potentials (OPLS/AA...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Published: |
Elsevier B. V.
2016
|
| Subjects: | |
| Online Access: | http://eprints.utm.my/70014/ http://eprints.utm.my/70014/ http://eprints.utm.my/70014/ |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Be the first to leave a comment!