The sixth virial coefficient for the modified Lennard-Jones potential
Journal Title: Дослідження в математиці і механіці - Year 2014, Vol 19, Issue 1
Abstract
In the wide range of dimensionless temperatures 0.2÷100, the sixth virial coefficient has been calculated for the modified Lennard-Jones potential (mLJ), which has a finite radius of interaction, while has no discontinuity in its energy and force. In turn, the data have allowed getting the theoretical values of critical parameters for mLJ system close enough to the experimental ones. In the computations, the new technique has been used, which combines the quadrature numerical integration and the Mayer Sampling Monte Carlo method (MSMC). This technique has demonstrated a higher universality and efficiency in comparison to the original MSMC.
Authors and Affiliations
M. V. Ushcats, K. D. Efimko
Keywords
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