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

Abstract

Previously 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.

Characterization and water vapor sorption property of ABA-type triblock copolymers derived from polyimide and poly(methyl methacrylate)

“…The solubility of small molecules is known to affect the polymer FFV –. For a polymer and an inert or non‐condensable gas system, both solubility and polymer FFV increased,, as theoretically expected , . By contrast, an opposite trend was observed in water vapor−polymer systems, i.e.…”

Effect of OH group on the water vapor sorption property of adamantane-containing polymer membranes

“…It is known that the solubility of small molecules is affected by the polymer free volume [4,44,45]. For inert or non-condensable gases, which do not interact with the polymer, and the series of family polymer systems, the solubility increased while the polymer FFV increased [44,45], as expected theoretically [46,47]. In contrast, an interesting opposite trend was observed in the water vapor-polymer systems, that is, the water vapor solubility increased while the the polymer FFV decreased [44,45].…”

Self‐diffusion of small molecules into rubbery polymers: A lattice free‐volume theory

“…Moreover, the thermodynamic foundation introduced by using the SL EoS opens new perspectives toward the evaluation of diffusion coefficients in the frame of FV models. In our treatment, among the several existing lattice theories, the SL model has been chosen because it is simple, its use in modeling solvent/polymer mixtures is well established,25 and its prediction ability is remarkable in many cases,21, 26 even though, in a future perspective, the use of more sophisticated lattice theories might be preferred to extend the model to glassy or branched/crosslinked polymers.…”