Abstract
A simple method is presented for estimating the second cross virial coefficients for interactions involving water. It is based on the Tsonopoulos corresponding-states correlation and consists of a semiempirical equation for evaluating the mixture-specific parameter k12 of this correlation. The general structure of this equation is guided by a theory-based relation, which is valid for interactions between spherical nonpolar molecules. An empirical extension of this relation to interactions involving water was done by replacing the “energy” term with a function of the Gibbs energy of hydration of a compound at 298 K and 0.1 MPa. This correlation is supported by experimental B12 values for interactions between water and numerous compounds that differ greatly in size and strength of water−solute interactions. Limitations of this empirical correlation are briefly discussed. In addition, available B12 data for interactions between water and normal alkanes, from ethane to octane, strongly suggest the applicabili...
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