Critical behavior of n-alkanes + benzene nitro-derivatives systems

We report the experimental and simulation study of the n-alkanes + nitrobenzene and n-alkanes + nitrotoluene systems which show the classical critical behavior with upper critical points. The Metropolis Monte Carlo simulation method for the NPT ensemble has been used. Density, enthalpy, radial distribution functions, critical parameters and melting character of these liquid mixtures have been estimated. Immiscibility conditions according to the approach by Schoen and Hoheisel have been also discussed. The simulation results have been compared with experimental ones obtained by Differential Scanning Calorimetry measurements. (authors)