So last week I read a post about liquid/gas layers in a box and it has me thinking (ie I cant shut it off).  As it would sim wise (and I asume there is already something somewhere that does it) for a large body of fileds such as astrophysics, liquid dynamics, gas/gas interface I woundered if anyone had thoughts on the subject.
 
It was pointed a standard box, say 200 nm cubed with half liquid, half gas or vacum quickly just diffuses the molecules across the area.  My thoughts were you could introduce a wall, with a set filed parameter in the mid point which would correct for some of the things happening.  I think now, a box would also have to be irregular for such things, ie 200x200x2000 or some extreem deminsion in one axis.  The point would be to do expirements say where I have a set atmosphere of several gases at a given pressure, etc...then introduce a solvent to half the box, ie just h2o, and then simulate the changes to this system in general to a final equilibrated point.  The main feature say I take 4 gases, CO2, NH3, O2, N2, and Ar or Ne, etc... The varied solubility of these is something like 3.5 g/L, 5 g/L , 0.000002 g/L, etc... thus drastic effects on the atmospheric side of the box.  The delima is at the molecular level, there is a gas/liquid interface that in the real world is not to pretty to model, mostly acting like 3-5 layers of mixing as far as equilibrim dynamics are conscerned over a macroscopic level of only 1-2 uM, but at the sim level this deminsion is enourmous.  Thus I would to the developers propose a wall table set that may help reduce the sizes concerned.  I should aslo add for Astrophysics type things, say the earth atmosphere, at the extreem altitudes, you have layering of gases, Vs. Mixing of these below a specific altitude, or conversly density from pressure and garvity (close to the surfaces of the planet, but mostly applicable to large atoms such as Radon or Ar).  These higher areas are a few 100 meters to few feet, but behave like a liquid liquid interface.  This is increasingly important to fields modeling foreighn atmospheres, examples like Jupiter or a far off planet where you can get the mixture percentages and density, but need to then model these based in size and mass would be say 10K ATM, and an area where gravity or not begin to play a roll.
 
Thaughts suggestions, etc...would be intersting.  Or grants for somone...
 
Sincerely,
 
Stephan Watkins
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