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...
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| Main Authors: | , , , |
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| Format: | Article |
| Published: |
Elsevier B. V.
2016
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| Subjects: | |
| Online Access: | http://eprints.utm.my/id/eprint/70014/ http://dx.doi.org/10.1016/j.fluid.2015.06.018 |
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