Computer simulation of the chemical potentials of fused hard sphere diatomic fluids

An efficient method for calculating the chemical potential of hard sphere fluids up to high densities by computer simulation is extended to the case of fluids of hard homonuclear and heteronuclear diatomics. The chemical potentials have been simulated at packing fractions up to η = 0.45 and used to test the results of several equations of state. To our knowledge, this Letter gives the first direct calculation of the chemical potentials of these molecular fluids using computer simulation techniques.