SOME EFFECTS OF DEVIATIONS FROM THE LORENTZ-BERTHELOT COMBINING RULESFOR MIXTURES OF LENNARD-JONES FLUIDS

Some effects of deviations from the Lorentz-Berthelot (LB) combining r ules for Lennard-Jones binary mixtures are studied with a model in whi ch both constituents have the same size and energy interaction paramet ers but the cross interaction deviates substantially from the LB rules . A single temperature and density and two compositions are studied by molecular dynamics simulations and the recently proposed Duh-Haymet-H enderson (DHH) intergral equation theory. The agreement is satisfactor y in both cases. The excess volume and enthalpy of mixing are also stu died systematically with the DHH theory. Some interesting phenomena ar e observed for these no-LB mixtures.