Values of the fifth virial coefficient, compressibility factors, and fluid-fluid coexistence curves of binary asymmetric nonadditive mixtures of hard disks are reported. The former correspond to a wide range of size ratios and positive nonadditivities and have been obtained through a standard Monte Carlo method for the computation of the corresponding cluster integrals. The compressibility factors as functions of density, derived from canonical Monte Carlo simulations, have been obtained for two values of the size ratio (q = 0.4 and q = 0.5), a value of the nonadditivity parameter (Δ = 0.3), and five values of the mole fraction of the species with the biggest diameter (x1 = 0.1, 0.3, 0.5, 0.7, and 0.9). Some points of the coexistence line relative to the fluid-fluid phase transition for the same values of the size ratios and nonadditivity parameter have been obtained from Gibbs ensemble Monte Carlo simulations. A comparison is made between the numerical results and those that follow from some theoretical equations of state.
Virial coefficients, equation of state, and demixing of binary asymmetric nonadditive hard-disk mixtures
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Electronic mail: [email protected]. URL: http://xml.cie.unam.mx/xml/tc/ft/mlh/. On sabbatical leave from Instituto de Energías Renovables, Universidad Nacional Autónoma de México (U.N.A.M.), Temixco, Morelos 62580, Mexico.
Electronic mail: [email protected]. URL: http://www.unex.es/eweb/fisteor/andres/.
Electronic mail: [email protected]. URL: http://www.unex.es/eweb/fisteor/santos/.
Giacomo FiumaraFranz SaijaGiuseppe PellicaneMariano López de HaroAndrés SantosSantos B. Yuste; Virial coefficients, equation of state, and demixing of binary asymmetric nonadditive hard-disk mixtures. J. Chem. Phys. 28 October 2017; 147 (16): 164502. https://doi.org/10.1063/1.4990614
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