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 (0–10 mol%) at temperatures from 373.15 to 453.15 K. The all-atom optimised-potentials (OPLS/...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier BV
2016
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| Online Access: | http://psasir.upm.edu.my/id/eprint/53325/1/Molecular%20dynamics%20simulation%20for%20self-diffusion%20coefficients%20of%20ginger%20bioactive%20compounds%20in%20subcritical%20water%20with%20and%20without%20ethanol.pdf |