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Ternary Polymer Solutions with Hydrogen Bonds, 1
Author(s) -
Soria Vicente,
Figueruelo Juan E.,
Gómez Clara M.,
Abad Concepción,
Campos Agustín
Publication year - 2007
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.200600050
Subject(s) - thermodynamics , hydrogen bond , ternary operation , polymer , flory–huggins solution theory , randomness , gibbs free energy , chemistry , solvent , interaction energy , entropy (arrow of time) , conformational entropy , molecule , physics , organic chemistry , mathematics , statistics , computer science , programming language
The Flory Huggins methodology coupled to AET has been extended to ternary polymer systems, in particular to solvent (A)/polymer 1 (B)/polymer 2 (C) systems, with the two polymers displaying H‐bonding interactions. Because the H‐bonding can perturb the randomness of polymeric conformations, the change in Gibbs free energy of mixing, Δ G , should arise from changes in combinatorial entropy as well as in interaction energy. The combinatorial part of Δ G is evaluated through AET as a function of the association constant η between B and C components, the autoassociation constant σ between B components, and the independent number m of interaction sites of acceptor C. The enthalpic contribution is evaluated by introducing concentration independent interaction parameters, $g'_{ij}$ , evaluated by subtracting from the functions g ij ( ϕ ) the energetic contributions due to the H‐bonding specific interactions. Once the resulting Δ G equation is tested, values obtained for hypothetic systems with low, moderate and strong H‐bonding interactions are discussed.