Re: atomic structure of some surfaces

From: Eduardo Cruz-Chu (chucruz_at_ks.uiuc.edu)
Date: Sat Sep 12 2009 - 15:31:12 CDT

> does anyone have an experience simulating pyrolytic graphite, Si-water
> and mica surfaces?

Indeed, we published a silica-water paper in 2006. The reference is:

Water-silica force field for simulating nanodevices. Eduardo R. Cruz-Chu,
Aleksei Aksimentiev, and Klaus Schulten. Journal of Physical Chemistry B,
110:21497-21508, 2006.

> These three are chosen by their varying
> hydrophobicity when in contact with a water droplet?

please, refine your question. It is not clear what you are asking.

On Thu, 10 Sep 2009, Roman Petrenko wrote:
> Dear all,
> does anyone have an experience simulating pyrolytic graphite, Si-water
> and mica surfaces? These three are chosen by their varying
> hydrophobicity when in contact with a water droplet?
>
> --
> Roman Petrenko
> Physics Department
> University of Cincinnati
>

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