Correlation and prediction of thermodynamic properties of dilute solutes in water up to high T and P. IV. Simple fluids He, Ne, Ar, Kr, Xe, Rn, H2, N2, O2, CO, CH4 - Re-parametrization

Abstract

Fugacity coefficients of dilute aqueous solutions of six noble gases and simple fluids H2, N2, O2, CO, CH4 have been re-evaluated from ambient conditions (298 K, 0.1 MPa) to high temperatures (up to 2000 K) and water densities (up to 1500 kg m–3). The main goal of the reevaluation is to provide an agreement within 1% with experiment-based values of the vapor-liquid distribution constants, KD, which are known for simple fluids (except Rn) in water with high precision all the way to the critical point of water at 647.096 K. As before, the approach is based on a correlation developed for the function, A12∞=V2∞/κTRT, and includes known constraints: second virial coefficients at low water densities, hard sphere behavior at high water densities, near-critical principles, and corresponding-states relations. A comparison with literature data at subcritical (Henry's and vapor-liquid distribution constants) and supercritical temperatures (fugacity coefficients) is made.