 Re: Activation energy of electrolyte ( No.1 ) |
- Date: 2022/12/02 15:29
- Name: T. Ozaki
- Hi,
I wonder that a research, https://doi.org/10.1039/C7CP08569A, may help you.
By performing a molecular dynamics (MD) simulation for an ion with a fixed z-coordinate and taking an avarage of total energy
over a long time, one can obtain a mean energy or mean force along the z-coordinate. A series of the MD simulations yield
the mean energy profile as a function of z-coordinate, resuling in the activation energy.
Regards,
TO
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| Re: Activation energy of electrolyte ( No.2 ) |
- Date: 2022/12/21 06:18
- Name: Mehdi Vejdanihemmat <m.vejdanih@gmail.com>
- Dear Prof. Ozaki,
Thank you for your guidance.
Best wishes,
Mehdi Vejdanihemmat
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Activation energy of electrolyte