## Abstract A QSPR study was performed for the prediction of the FloryβHuggins parameters of binary polymer/solvent mixtures. 1β664 descriptors for each polymer and solvent were checked and a cubic multivariable model, with __R__^2^β=β0.9638 and __s__β=β0.146, was produced by using genetic algorith
Application of Flory-Huggins theory to ternary polymer-solvents equilibria: A case study
β Scribed by E. Favre; Q.T. Nguyen; R. Clement; J. Neel
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 649 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0014-3057
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β¦ Synopsis
The ternary equilibrium data of the following systems: benzene/heptane/NBR at 60Β°C (system l), heptane/isooctane/PE at 25Β°C (system 2), ethanol/water/CA at 20Β°C (system 3) and ethanol/water/ P(E-co-VAc) at 32Β°C (system 4), already reported in the literature, have been used and experimental results compared to predictions offered by the Flory-Huggins theory applied to ternary mixtures (one Polymer and two liquids), with constant interaction parameters and negligible elastic contribution. Polymer-solvent interaction parameters have been determined from swelling in pure liquid, while liquid-liquid interaction parameters have been estimated from liquid-vapour equilibrium data curve fitting. It is shown that the Flory-Huggins theory offers reasonable prediction in the case of apolar liquids in an elastomeric matrix (system I), while approximate isotherm patterns with significant discrepancies are obtained with apolar liquids in a thermoplastic (system 2). The equilibrium data of polar liquids in either homopolymer or copolymer (systems 3 and 4) can hardly be achieved by Flory-Huggins theory, even when a variable liquid-liquid interaction parameter is used. Implications in ternary diagram simulations and possible prediction improvements are discussed.
π SIMILAR VOLUMES
Blends of anionically-polymerized polybutadiene ( BR) and styrene-butadiene copolymer (SBR) must be treated as mixtures of terpolymers and tetrapolymers, due to the presence of three different BR isomers: cis-1,4, truns-1,4, and vinyl-1,Z. Moreover, in the absence of specific interactions or chemica
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