[gmx-users] Location of Bubbles.

sujithkakkat . sujithks58 at gmail.com
Sat Jul 18 08:53:24 CEST 2015


 I am observing nucleation and growth of bubbles in a solution of methane
in water with methane present at various levels of supersaturation.

The system consists of a total 0f 2000 molecules in a cubic box with the
number of CH4 varying from 80 to 200.  I am using a single point Lennard
Jones potential for methane along with the TIP4P water model with short
range interactions cutoff at 1.2nm.

 Five different simulations were performed and in each case a methane
bubble was formed . I find that in all cases the bubble is located near the
edge or a face of the box rather than being within the box. I wonder
whether this is a coincidence or if it is an artefact. I am interested to
know if someone had similar observations. Please comment.


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