Open AccessPhase behavior of poly(3‐hexylthiophene‐2,5‐diyl)
Author(s) -
Snyder Chad R.,
Gomez Enrique D.
Publication year - 2016
Publication title -
journal of polymer science part b: polymer physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.65
H-Index - 145
eISSN - 1099-0488
pISSN - 0887-6266
DOI - 10.1002/polb.24027
Subject(s) - library science , citation , subject (documents) , engineering , computer science
The phase behavior of many conjugated polymers is rich with both crystalline and liquid crystalline phases. Recent computational efforts have identified the isotropic‐to‐nematic transition temperature for polymers such as poly(3‐hexylthiophene‐2,5‐diyl) (P3HT). Herein, model predictions are combined with experimentally determined values of the equilibrium melting temperature as a function of chain length to provide the complete phase behavior for P3HT. Additionally, because a full description of the phase behavior requires proper accounting for the regioregularity of the chain, a thermodynamic relationship is derived to predict this behavior as a function of both chain length and regioregularity and the impact of regioregularity on the expected phase diagram is discussed. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2016 , 54 , 1202–1206