Re: About the potantial of IONS

From: Mauricio Carrillo Tripp (trippm_at_gmail.com)
Date: Fri Oct 07 2005 - 10:29:17 CDT

*
*I believe this kind of phenomena can't be well described unless you use a
more refined
force field for the ion-water interactions. Standard water models lack a lot
of detail that
might be important for conditions other than the ones they were adjusted to,
therefore,
they might not predict the 'real' behavior outside these conditions.
I haven't worked with ion crystal formation myself, but I know these details
are important
to get a better description of ion hydration for example, even in
physiological conditions,
*
"A comparative study of the hydration of Na+ and K+ with refined polarizable
model potentials<http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=JCPSA6000118000015007062000001&idtype=cvips&gifs=yes>
"*,
Journal of Chemical Physics, *118*(15), 7062, 2003.

and references therein.

On 10/6/05, yangbing00_at_mails.tsinghua.edu.cn <
yangbing00_at_mails.tsinghua.edu.cn> wrote:
>
> Hi All:
>
> I have a question which is manly about the potential of ions in water.
>
> There existed several kinds of potantial for ion crystal, and its main
> form is to
> include the Coulomb potential and some effective repulsion potential (as
> Shell
> model). According to the crystal parameters and some other experimentaly
> achieved
> data, the potential can be determined.
>
> Then my question is: anyone familiar with the ions interaction potential
> in water?
> And has anyone done some previous work on this section? because the ions
> interaction potential will be the key to investigate the crystal formation
> and
> other related phenomena, which is also important for biological system.
>
> Thank you!
>
> Yangbing
>
>
>

--
Mauricio Carrillo Tripp, PhD
Department of Chemistry
Wabash College
trippm_at_wabash.edu
http://trippm.bajacast.com/

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