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.
Volume 96, 2022
Continuous Article Publishing mode
Click here for Editorial Note on CAP Mode