Journal
FLUID PHASE EQUILIBRIA
Volume 313, Issue -, Pages 127-139Publisher
ELSEVIER
DOI: 10.1016/j.fluid.2011.10.012
Keywords
Hydrogen bonding; Lattice models; Poly(epsilon-caprolactone); Sorption thermodynamics; Water
Funding
- Commission of the European Communities [FP6-CT-2006-015710]
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Thermodynamics of water sorption in poly(e-caprolactone) (PCL) has been interpreted by using three models based on compressible lattice fluid theories, addressing the issue of self- and cross-hydrogen bond interactions. The models, available in the literature, are of increasing complexity and consist of a compressible lattice fluid term which could account or not for non-randomness of contacts and, in the case of two of the models, of a hydrogen bonding contribution. Models were analysed and compared in terms of fitting capability of the experimental sorption isotherms and, where appropriate, of predicted amount of self- and cross-hydrogen bonds which are established in the PCL-water mixture. Results confirm that, to obtain a satisfactory fitting of data, it is necessary to explicitly account for formation of hydrogen bonds. (C) 2011 Elsevier B.V. All rights reserved.
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