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Effect of molecular weight on conformational characteristics of poly(3‐hexyl thiophene)

ABSTRACT

This research focused on the effect of molecular weight and investigated the conformational characteristics of poly(3‐hexyl thiophene) (P3HT). An integrated system consisting of a gel permeation chromatograph, a static light scattering unit, and a viscometer was used for the study. It also estimated the radius of gyration (Rg) values of unsubstituted poly(thiophene) (PT) chains computationally using rotational‐isomeric‐states modeling and compared them with the experimental data for P3HT. In the low molecular weight region (20,000 to 30,000), both chains had nearly the same Rg values, meaning that the effect of side‐chains is limited. At higher molecular weights, the P3HT chains expanded more than the PT chains. In the molecular weight region from 20,000 to 60,000, both characteristic ratio and persistence length showed considerable molecular weight dependence. Beyond a molecular weight of 60,000, the molecular weight dependence decreased, and these parameters approached constant values, 16 and 3 nm, respectively. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017

This research estimates the radius of gyration (Rg) of P3HT chains using an integrated system consisting of a gel permeation chromatograph, a static light scattering unit, and a viscometer compared with the calculated values for unsubstituted poly(thiophene) (PT) and freely rotated chains. The P3HT chains expanded more than the PT chains and shrunk more than the freely rotating chains. The estimated (Rg) of P3HT chains agreed well with the previously reported calculated values using molecular–dynamics.

Authors:   Masaru Nagai, Jun Huang, Tiandong Zhou, Wei Huang
Journal:   Journal of Polymer Science Part B: Polymer Physics
Year:   2017
Pages:   n/a
DOI:   10.1002/polb.24389
Publication date:   20-Jun-2017
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