the theory and the simulations results, a condition for employing a sine qua non methodology as the one proposed herein. Figure 9 exemplifies the real potential use of the correlation, as the field can be used for molecular simulations of properties not considered in the original parametrization, for example surface properties and interfacial tensions. Here, the equation of state is not amenable to be used, unless a more sophisticated theory is employed ,. However the simulations provide an accurate prediction of the interfacial properties over the full temperature range. Analysis of the simulations would also provide interfacial profiles, and structure correlations for the inhomogeneous fluid. Similarly, other interfacial properties such as adsorption could be studied. Figure 7 Temperature, as a function of molar density for n-hexane. T, , Solid line corresponds to the smoothed experimental data40 dashed lines are the description from the SAFT- equation of state. Solid symbols are MD simulation data. In both the EOS and the simulations the Mie (-6) model parameters ( = 19.26, /kB = 376.35 K,  = 4.508 Å) are obtained from the correlation with taken as 2. m
the theory and the simulations results, a sine qua non condition for employing a methodology as the one proposed herein. Figure 9 exemplifies the real potential use of the correlation, as the field can be used for molecular simulations of properties not considered in the original parametrization, for example surface properties and interfacial tensions. Here, the equation of state is not amenable to be used, unless a more sophisticated theory is employed ,. However the simulations provide an accurate prediction of the interfacial properties over the full temperature range. Analysis of the simulations would also provide interfacial profiles, and structure correlations for the inhomogeneous fluid. Similarly, other interfacial properties such as adsorption could be studied. Figure 7 Temperature, T, as a function of molar density , for n-hexane. Solid line corresponds to the smoothed experimental data40 dashed lines are the description from the SAFT- equation of state. Solid symbols are MD simulation data. In both the EOS and the simulations the Mie (-6) model parameters ( = 19.26, /kB = 376.35 K,  = 4.508 Å) are obtained from the correlation with m taken as 2.