MOLECULAR-DYNAMICS SIMULATION OF THE CHEMICAL-POTENTIALS OF MIXTURES

We report a new method of calculating the difference in chemical potentials for a mixture, which is a combination of the difference method and the 'f-g' method. The method is based on distribution functions of fictitiously inflating and shrinking real particles in the system. In the same run we used the new method and Widom's method, and compared with literature data. The results are in good agreement with each other, thus showing promise for further applications for the evaluation of chemical potentials in high densities.