Thermodynamics of supercritical carbon dioxide mixtures across the Widom line

Abstract

and seven of its binary mixtures with hydrogen, methane, ethane, isobutane, benzene, toluene or naphthalene is studied with respect to thermodynamic, transport and structural properties on the basis of molecular dynamics simulations and equation of state calculations. The Widom line is evaluated employing five criteria and a new empirical equation is proposed for its prediction. Further, the crossover anomalies are investigated in the light of pseudo-boiling theory, diffusion and viscosity as well as structural characteristics given by the radial distribution function.