Improvement to the lattice‐fluid prediction of gas solubilities in polymer liquids

Abstract

AbstractPreviously we have shown that the Lattice Fluid (LF) model can quantitatively predict, without adjustable parameters, gas solubilities for hydrocarbon and chlorinated hydrocarbon vapors in nonpolar polymers. For polar polymers, the model can also predict, with reasonable success, the solubilities of polar and aromatic vapors. However, the solubilities in polar/nonpolar combinations of gas and polymer are systematically overestimated. These are cases in which the geometric mean approximation for the interaction parameter is not expected to be valid. This paper demonstrates that with the addition of a simple empirical correlation for the interaction parameter based on Hansen's three‐dimensional solubility parameters, the LF model is then able to quantitatively predict solubilities in all types of gas/polymer systems (excluding strongly self‐associating systems, such as alcohols). No adjustable parameters are used; only the pure component equation‐of‐state and solubility parameters are required. © 1993 John Wiley & Sons, Inc.