Chemical potential of triatomic polar liquids; a computer simulation study |
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Authors: | Y Guissani B Guillot F Sokolić |
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Abstract: | The chemical potential of liquid sulphur dioxide and liquid water is investigated by molecular dynamics simulation. The calculation is based upon the Widom test-particle method. An empirical procedure is applied in order to reduce drastically the computing time needed to sample the computer-generated configurations. The influence of the choice of the effective pair potential is discussed. |
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