psim is a particle simulator that puts a number of particles in a box and measures various thermodynamic properties, and compares them with expected values.
psim can run different experiments - Velocity Distribution, Ideal Gas Law, Real Gas, Heat Flow, and Diffusion, and could be extended with many other experiments - Brownian Motion, Osmosis, Membrane Potential, Speed of Sound, Heat Capacities, Enthalpy, Entropy, Free Energy, Water, Liquid-Gas Equilibrium, and the Joule-Thompson Effect.
psim is written in MatLab.
The final report is available here.
Logs of all experimental runs were automatically kept, e.g.
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psim, version 4/23/2003
Particle Simulator
Current time: 24-Apr-2003 11:21:39
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Experiment: Maxwell Velocity Distribution
Number of Particles: 100
Time Range: 10.0 ps
Time Step: 0.100 ps
InitTemperature: 100 K
Velocity Distribution: same
Potential Type: none
InitRmsSpeed: 3.5 A/ps
BoxSize: 10 x 10 x 10 A
Volume: 1000 A^3
Avg Intermolecular Spacing: 2.15 A
AtomMass: 20.0 D
AtomRadius: 0.5 A
VolumeFraction: 0.05 (particle volume / total volume)
MassDensity: 3321.08 kg/m^3
Running...
Results
Expected Measured (avg) StdDev
Pressure: 1362.60 1410.88 507.34 atm
Temperature: 100.0 100.0 K
CollisionRate: 1569.02 1715.00 collisions/mlc/fs
Time Requirements:
Wall Collisions: 0.5 sec
Gas Collisions: 13.3 sec
Calculate Properties: 0.0 sec
Display Data: 0.7 sec
Integrate: 0.0 sec
Need to reduce time step! currently 0.100 ps, should be 0.059 ps
GPL