Determination of Pair Interaction Parameters of Multicomponent Polymer Systems

Polymers (Basel). 2023 Dec 25;16(1):68. doi: 10.3390/polym16010068.

Abstract

From the examples of three and four-component polymer-polymer systems characterized by amorphous separation, an original technique for determining the pair parameters of interaction between components based on the sorption isotherms of common solvent vapor, particularly water vapor, has been developed. The possibility of calculating thermodynamic characteristics of multicomponent polymer compositions with specific interactions of functional groups from experimentally obtained sorption isotherms is shown. An algorithm for calculating pair interaction parameters, estimating concentration dependences of chemical potential and Gibbs free energy of mixing, and predicting the phase state of polymer mixtures was presented for the first time for such systems. The technique was tested on the example of systems poly(N-vinylpyrrolidone) (PNVP)-polyethylene glycol (PEG), PNVP-PEG-Poly(acrylic acid) (PAA), poly(N-vinylcaprolactam) (PNVCL)-PEG, and polyvinyl alcohol (PVA)-PEG.

Keywords: Gibbs free energy of mixing; chemical potential; multicomponent polymer systems; pair interaction parameter; phase state diagrams; sorption isotherms; sorption of water vapors.