Phase behavior of poly(3-hexylthiophene-2,5-diyl)

Chad R. Snyder, Enrique D. Gomez

Research output: Contribution to journalArticlepeer-review

12 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)1202-1206
Number of pages5
JournalJournal of Polymer Science, Part B: Polymer Physics
Issue number13
StatePublished - Jul 1 2016

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Polymers and Plastics
  • Materials Chemistry


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