posted on 2018-05-18, 10:51authored byArash Sadeghi, Hadi Nazem, Mashallah Rezakazemi, Saeed Shirazian
The Flory-Huggins (FH) model has been one of the most used models in theoretical calculations which has been proved to be sensitive to values assigned as interaction parameters. In this work, a predictive equation is implemented to implicitly couple the concept of compressible regular solution theory of Ruzette and Mayes into the original FH model to obtain a new concertation-dependent interaction parameter equation. Then, the modified model (m-FH) is applied for construction of phase diagram of ternary solutions containing polymer/solvent/nonsolvent where experimental data for ternary systems were collected from the literature. In order to compare and analyze the model performance, the individual absolute relative deviation (IARD (%)) was used. The m-FH model revealed acceptable accuracy in calculations without prior need for correlation to experimental data.
History
Publication
Journal of Molecular Liquids;263, pp. 282-287
Publisher
Elsevier
Note
peer-reviewed
Rights
This is the author’s version of a work that was accepted for publication in Journal of Molecular Liquids. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Molecular Liquids, 2018, 263, pp. 282-287, https://doi.org/10.1016/j.molliq.2018.05.015