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extra credit - Chem120B Extra Credit Assignment Due: May 6,...

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Chem120B Extra Credit Assignment Due: May 6, 2011 For this assignment you will use computer simulations to study the properties of a model fluid. The model represents molecules as hard disks in two dimensions. The particles are “hard” in the sense that they are not allowed to overlap (any particle overlap results in infinite energy). Other than that constraint, they do not interact. As a result, temperature is thermodynamically irrelevant. A microstate j is either allowed (no overlaps, E j = 0 and e - βE j = 1 regardless of temperature) or not (one or more overlaps and E j = , e - βE j = 0 regardless of temperature). Your simulations will mimic a macroscopic system of these particles with an imposed external pressure. Clearly, we cannot simulate 10 23 particles. The standard trick is to instead simulate a manageable number of particles (say, 100) with so-called periodic boundary conditions: when a particle leaves one side of the simulated region, it reappears on the other side. Then you do not have to worry about the effects of interfaces. In running the program, you can vary the number of particles, the external pressure, the initial density, and the number of “equilibration steps” you allow the system to settle down before collecting data. By click- ing on “Save Output” and providing a name for output files (e.g., “out”), you may save results for the mean squared displacement (“out.msd.csv”), density over the course of your simulated trajectory (“out.density.csv”), and the radial distribution function
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extra credit - Chem120B Extra Credit Assignment Due: May 6,...

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