Dear all,
I am studying the behaviour of water droplets on different surfaces. I am making a system of sio2 surface and water (spc/e) model. I have found the lattice custom values for the sio2 surface. I am stuck with the choice of potential to use for the silica surface. If anybody has any previous experience on working with water and silica please help me here. I would be grateful.
Thanks
Devargya
Your best chance to find the information you are after is in the published literature. The system you are describing is not exactly unusual, so there should be plenty of accounts of what works well, what kind of force fields and parameters to use, and how to prepare and run suitable simulation setups.
Axel.
Find the following publication. Look closer to your problem.
https://doi.org/10.1016/j.molliq.2014.06.003
Chamara