The equation of state for an ideal gas is simple, which is P=nkBT. In the case of imperfect gases where mutual interactions among the constituents are important, pressure P can be expressed as the series expansion of density n with appropriate coefficients, known as virial coefficients Bₘ. In this paper, we have obtained the first four virial coefficients for a model interaction potential Φ(r) using multidimensional Monte-Carlo integration and importance sampling methods. Next, we perform molecular dynamics simulations with the same Φ(r) for a many-particle system to obtain P as a function of T and n. We compare our numerical data with the virial equation of state.
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Howlader et al. (2024) studied this question.
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