The heat of mixing and second virial cross coefficient of water+oxygen and water+nitrogen

First-Principles Calculation of the Cross Second Virial Coefficient and the Dilute Gas Shear Viscosity, Thermal Conductivity, and Binary Diffusion Coefficient of the (H2O + N2) System

“…In Figure 5, the experimental ϕ 12 values and those obtained from the correlation of Tulegenov et al 15 are compared with the values 47 Oellrich and Althaus, 52 and Podmurnaya et al 53 were derived by Tulegenov et al 15 from other data contained in these publications. 54 which have the lowest uncertainties, agree somewhat better with the present correlation than with that of Tulegenov et al…”

“…Deviations of experimental data − and the semiclassically calculated values of Tulegenov et al for the cross second virial coefficient B 12 of the H 2 O–N 2 molecule pair from the semiclassically calculated values B 12 QFH of this work as a function of temperature T . Also depicted are the classically calculated values B 12 cl of this work.…”

“…Figure shows the comparison of the calculated values with selected experimental data. − The data of Gillespie and Wilson, Oellrich and Althaus, and Podmurnaya et al were not provided in the original papers; they were derived by Tulegenov et al from other data contained in these publications. The figure also shows the values determined semiclassically by Tulegenov et al (provided in the form of a correlation) using their analytical potential function.…”

“…The four B 12 data sets from the Wormald group − , were derived from measured enthalpies of mixing of H 2 O and N 2 at low densities. The quantity more directly connected with these measurements is the dilute gas cross-isothermal Joule–Thomson coefficient, ϕ 12 = B 12 – T (d B 12 /d T ).…”

Correlation and prediction of thermodynamic properties of nonelectrolytes at infinite dilution in water over very wide temperature and pressure ranges (2000K and 10GPa)

“…Since the time of completion of that review, data for a few additional mixtures were obtained by calorimetrical measurements in the gas phase: for H 2 O-H 2 S (Wormald, 2003), H 2 O-O 2 and H 2 O-N 2 (Wormald, 2009) (Wheatley and Harvey, 2007), H 2 O-N 2 (Tulegenov et al, 2007), H 2 O-CO (Wheatley and Harvey, 2009), and H 2 O-CO 2 (Wheatley and Harvey, 2011). However, for many other solutes B 12 can be predicted using methods proposed in the literature (Plyasunov et al, 2003;Bishop and O'Connell, 2005), at least for nonelectrolytes with known values of the gas-liquid critical properties, dipole moments, etc.…”