Effective potential for water vapour
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A suitable temperature dependence is introduced into the force parameters of the Lennard-Jones potential by taking the free-energy average of the Rowlinson potential. The resulting temperature-dependent parameters are used to calculate the effective potential, which is plotted for water vapour at a few different temperatures. The temperature-dependence of the second virial coefficient is shown for the cases of temperature-independent and temperature-dependent parameters of which the latter agrees very well with experimental results.
KeywordsLennard-Jones potential effective potential second virial coefficient water vapour
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