"Calculation of vapor pressures not requiring the derivatives of the energy of mixing"
Macromolecular Theory and Simulations 1997, 6, 427-435.
Abstract: A method is presented for the calculation of vapor pressures exclusively on the basis of the energy of mixing, the knowledge of chemical potentials is not required. The only condition used for the calculation is the minimum of the energy of mixing of the overall system in equilibrium. The gas phase is treated as an ideal gas, for the liquid phase no specific thermodynamic description is assumed. The method is demonstrated for a mixture of two solvents and one polymer. The system water/poly(ethylene oxide), the thermodynamics of which are described by an equation that can only be solved numerically thus impeding the calculation of chemical potentials, serves as an example. Interaction parameters are determined by fitting calculated vapor pressures to literature data.
preprint number: 177a