1.
Eur Phys J E Soft Matter
; 47(3): 20, 2024 Mar 18.
Artículo
en Inglés
| MEDLINE
| ID: mdl-38499904
RESUMEN
The equation of state for an ideal gas is simple, which is P = n k B T . 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 B m . 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.