R. Horst

"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