Tuning the critical solution temperature of polymers by copolymerization
| Autor: | Schulz, Bernhard, Chudoba, Richard, Heyda, Jan, Dzubiella, Joachim |
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| Rok vydání: | 2015 |
| Předmět: | |
| Zdroj: | J. Chem. Phys. 143, 243119 (2015) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1063/1.4934017 |
| Popis: | We study statistical copolymerization effects on the upper critical solution temperature (CST) of generic homopolymers by means of coarse-grained Langevin dynamics computer simulations and mean-field theory. Our systematic investigation reveals that the CST can change monotonically or non-monotonically with copolymerization, as observed in experimental studies, depending on the degree of non-additivity of the monomer (A-B) cross-interactions. The simulation findings are confirmed and qualitatively explained by a combination of a two-component Flory-de Gennes model for polymer collapse and a simple thermodynamic expansion approach. Our findings provide some rationale behind the effects of copolymerization and may be helpful for tuning CST behavior of polymers in soft material design. Comment: 8 pages, 6 figures |
| Databáze: | arXiv |
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