Predicting Multi‐Component Phase Equilibria of Polymers using Approximations to Flory–Huggins Theory
نویسندگان
چکیده
The rational development of sustainable polymeric materials demands tunable properties using mixtures polymers with chemical variations. At the same time, sheer number potential variations and combinations makes experimentally or numerically studying every new mixture impractical. A direct predictive tool quantifying how material change when molecular features provides a less time- resource-consuming route to optimization. Numerically solving Flory–Huggins theory such for mono-disperse limited components, but multi-component systems large equations numerical computations challenging. Approximate solutions relating miscibility solubility are presented. set approximate relations show wider range accuracy compared existing approximations. combination analytical, lower-order, more accurate higher-order approximations together contribute broader applicability extensibility theory.
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ژورنال
عنوان ژورنال: Macromolecular Theory and Simulations
سال: 2023
ISSN: ['1022-1344', '1521-3919']
DOI: https://doi.org/10.1002/mats.202300001