[gmx-users] surface tension

André Farias de Moura moura at ufscar.br
Thu Apr 4 16:32:48 CEST 2013

There's no simple answer for that. If you apply a lateral pressure (xy
plane) and the system is evacuated in the z direction, the only thing that
you might expect is that your system would be squeezed in that direction,
and then the lateral pressure would relax.

If you're thinking about a gas exerting a pressure on the interface, your
system would need to have a pressurized gas instead of vacuum in the z
direction. Please note that pressure would arise from the gas you have put
into the box and not from an external pressure bath (I would stick to NVT
for such a model). Among the possible issue you might face, the gas would
probably be partially miscible in the liquid phase for high pressures.

I hope it helps.



On Wed, Apr 3, 2013 at 11:07 PM, Elisabeth <katesedate at gmail.com> wrote:

> Hello all,
> Does anyone know how one can study the effect of pressure on surface
> tension of pure liquids?
> Thanks,
> --
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Prof. Dr. André Farias de Moura
Department of Chemistry
Federal University of São Carlos
São Carlos - Brazil
phone: +55-16-3351-8090

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