I am looking for a software that simulates the microscopic behavior of an ideal gas, something like this: http://www.youtube.com/watch?v=tEFHkcx2cz0 (unfortunately this program is not openly available). It should handle at least two containers and the user should be able to select the number of molecules and temperature in each container. The aim is to demonstrate how diffusion is happening at a microscopic scale.

Do you know any software that can do that?

  • $\begingroup$ You can modify one of the Python programs you can find googling. $\endgroup$
    – jinawee
    Commented Nov 27, 2015 at 10:33
  • 1
    $\begingroup$ If you don't want to write it yourself (but if you know Python, do try to write it, it is very easy and rather fun), you will find many starting python scripts just by googling, that will require slight modification in order to get the exact simulation you want. Other possibility would be using one of the Mathematica demonstration codes, e.g. this one. $\endgroup$
    – Ellie
    Commented Nov 27, 2015 at 11:14

1 Answer 1


I think you should look into Molecular Dynamics software. GROMACS is open source and capable of doing a simulation like the one in the video.

Disadvantages: Installation on Windows is tricky, lots of learning to get started (no GUI, long text files…) you need an extra programm to view your output as video…

Advantages: Very flexible: Differert Algorithms can be chosen for everything, isotherm, isobar, isochor simulations; fast, with good GPU acceleration, so a meaningfull simulation can be done on a desktop; lots of output data (pressure, temperature, mean potential energy, mean Lenard Jones interactions, particle speeds…)

for an ideal Gas simulation use Noble gases and stay away from the boiling point.


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