Empirical correlations for second virial coefficients of associated and quantum fluids covering a wide temperature range

Abstract

Characterizing interactions between two molecules, the second virial coefficient is of great value in calculating the effect of the real-fluid imperfection. The corresponding-state principle followed, the second-virial-coefficient correlation proposed in our previous work was extended to associated and quantum fluids. The effects of hydrogen bonds were carefully analyzed and the new associated polar terms gave physically reliable results for alcohols, amines, ammonia and water. Taking the reduced de Broglie wavelength as the characteristic parameter, a new corresponding-state treatment for quantum fluids was established. The new quantum term was applicable for all quantum fluids except for Neon and was in good agreement with the ab initio and experimental data when the reduced temperature is higher than 0.33. The second virial coefficients of Neon can be calculated by the simple spherical term formula. For the requirement of high-precision calculation, this paper also proposed the specific correlations of the second virial coefficients for He-3, He-4, Neon and water. Together with previous correlations for nonpolar and non-associated polar fluids, a second-virial-coefficient model for most common fluids in a wide temperature range was completed in this work.