Second Cross Virial Coefficients for Interactions Involving Water. Critical Data Compilation

Abstract

Values of the second cross virial coefficients, B 12, and isothermal Joule−Thomson coefficients, φ12, for interactions involving water are compiled and, as necessary, evaluated from existing experimental data including PVT properties of gas mixtures, measurements of the pressure dependence of the molar excess enthalpies of a gas mixture, and measurements of the solubility of the condensed phases of H2O (liquid water or ice) in compressed gases. In all, there are data for interactions between water and 32 other compounds, and among these, nine interactions involve compounds with appreciable dipole moments. These B 12 values, typically available over a limited temperature range, are extrapolated to high temperatures by means of the Tsonopoulos corresponding-states correlation. Finally, the temperature dependence of the second cross virial coefficients between water and solutes at temperatures up to 1200 K is approximated by an empirical polynomial equation, the coefficients of which are tabulated for each interaction.

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

“…The experimental values of B 12 for aqueous interactions are available for a few dozen nonelectrolytes, see the review (Plyasunov and Shock, 2003a). 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).…”

Solubility of carbon dioxide in aqueous solution of monoethanolamine or 2-amino-2-methyl-1-propanol: Experimental measurements and modelling

“…(18) suggested by Bieling et al (1995). Values for parameters a ii − d ii are listed in Table 7: The cross coefficient B ij for CO 2 -H 2 O is calculated using a correlation equation proposed by Plyasunov and Shock (2003). Values of e i are given in Table 8:…”

Modeling of (vapor+liquid) equilibrium and enthalpy of solution of carbon dioxide (CO2) in aqueous methyldiethanolamine (MDEA) solutions

“…Mixed cross second virial coefficient B ij for water-CO 2 is calculated in equation (18) according to correlation proposed by Plyasunov and Shock [20]. Parameters e k are given in table 4…”

“…Activity coefficients c i of ionic and molecular species i present in solution are calculated using the Pitzer equation (20) as modified by Edwards et al [9] ln c i ¼ ÀA / z 2 (13) and (14) to calculate vapor pressure p s w and partial molar volume v w of water with equations of Saul and Wagner [18]. [11] where I is ionic strength of the solution, z i and m i are charge and molality of species i.…”

“…Excess enthalpies H E i for species i (equation (26)) and H E w for water (equation (27)) are obtained by temperature differentiation of activity coefficient (equation (20)) and water activity (equation (22))…”