The fourth virial coefficient of asymmetric nonadditive binary mixtures of hard disks is computed with a standard Monte Carlo method. Wide ranges of size ratio (0.05 <= q <= 0.95) and nonadditivity (-0.5 <= <= 0.5) are covered. A comparison is made between the numerical results and those that follow from some theoretical developments. The possible use of these data in the derivation of new equations of state for these mixtures is illustrated by considering a rescaled virial expansion truncated to fourth order. The numerical results obtained using this equation of state are compared with Monte Carlo simulation data in the case of a size ratio q = 0.7 and two nonadditivities = ±0.2

Fourth virial coefficients of asymmetric nonadditive hard-disk mixtures

Saija F;
2012

Abstract

The fourth virial coefficient of asymmetric nonadditive binary mixtures of hard disks is computed with a standard Monte Carlo method. Wide ranges of size ratio (0.05 <= q <= 0.95) and nonadditivity (-0.5 <= <= 0.5) are covered. A comparison is made between the numerical results and those that follow from some theoretical developments. The possible use of these data in the derivation of new equations of state for these mixtures is illustrated by considering a rescaled virial expansion truncated to fourth order. The numerical results obtained using this equation of state are compared with Monte Carlo simulation data in the case of a size ratio q = 0.7 and two nonadditivities = ±0.2
2012
Istituto per i Processi Chimico-Fisici - IPCF
hard-disk; equation of state; virial expansion
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/222718
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