Mayer-sampling Monte Carlo calculations of methanol virial coefficients
نویسندگان
چکیده
We present virial coefficients of up to fourth order computed by Mayer-sampling Monte Carlo for three pair potentials of methanol: one parameterized to reproduce vapourliquid coexistence and two others parameterized to reproduce a quantum pair potential. We compare the resulting second and third virial coefficients to experimental values available in the literature. We further examine the virial coefficients within the context of the virial equation of state, computing vapour-branch spinodals, critical points, and saturated-vapor compressibility factors. The results of the three potentials differ qualitatively, reflecting the primary differences in the parameterization schemes.
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