Abstract
Mixture virial coefficients to seventh order are presented for the system CO2/CH4 at four supercritical temperatures: 323.15, 373.15, 473.15, and 573.15 K. Values are evaluated via the Mayer sampling Monte Carlo method using a three-site TraPPE model for CO2 and a one-site model for CH4. The coefficients are used to compute seven thermodynamic properties (viz., compressibility factor, isothermal compressibility, volume expansivity, isochoric and isobaric heat capacities, Joule–Thomson coefficient, and speed of sound) as a function of mole fraction and density for these temperatures. Comparison is made with corresponding data in the literature as obtained by molecular dynamics simulation, covering densities up to about twice the critical density. Key conclusions are as follows, noting that some exceptions are observed in each case: (a) The virial equation of state (VEOS) to fourth or fifth order describes all properties to within the simulation uncertainty for densities up to at least the critical density,...
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