Dear all,
I would like to know what are the methods I could use to measure/plot the contact angle of a water nanodroplet on flat graphene.
Is there a script or tool in GROMACS that can perform the contact angle calculation?
I am aware that the commonly used Young's equation does not apply here, since the droplet sizes will be in nanoscale.
The modified Young-Dupre's equation, and other plotting methods such as the graphical binning approach by Werder et al. J. Phys. Chem. B 107, 1345-1352 (2003),
and the algorithm method by Ingebrigtsen and Toxvaerd, J. Phys. Chem. C 111, 8518 (2007) provided some theory on the calculation,
but I would like to know about the technical steps on doing the measurement.
Any feedback is greatly appreciated.
Thank you in advance.
Regards,
Kester
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