The diffusion of molecules (for example: BBr3) in the atmosphere of N2 of 1torr is needed. Could anyone tell me how I can simulate this? Thank you.
Yigang,
Surely one need not simulate this - isn't a simple random-walk model sufficient?
In which case one needs only the absolute temperature, and the number density of scatterers (to get the mean free path).
Or am I missing something?
Dear James,
In my case, the molecules travel in a geometry with large aspect ratio (L/D=100 or more). I'd like to know the time needed for BBr3 molecules to travel to "every corner" of the geometry. The relationship between the"time" and the "position in the large L/D geometry" is very important to me.
Yigang,
Again, if you know the absolute temperature and the mean free path, then a simple 3D Brownian motion model is all that you need.
Try page 6 of this:
http://www-personal.umd.umich.edu/~fmassey/math420/Notes/c6/6.3%20Diffusion%20and%20Brownian%20Motion.doc
You simply want to know how many steps (on average) are needed for a given molecule to have a 50:50 chance of translating to the furthest corner of your geometry.
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