3 years ago

Self-Assembly Behavior of Triphenylene-Based Side-Chain Discotic Liquid Crystalline Polymers

Self-Assembly Behavior of Triphenylene-Based Side-Chain Discotic Liquid Crystalline Polymers
Qiuyan Yu, Dongzhong Chen, Fang Luo, Shiying Ma, Rong Wang, Minqing Gong
We constructed a generic coarse-grained model of triphenylene-based side-chain discotic liquid crystalline polymers (SDLCPs). Then dissipative particle dynamics (DPD) simulation was employed to systematically study how composition and structural factors of SDLCPs such as molecular weight, main chain, spacer and aliphatic tails, and the incompatibility between mesogenic core and its substituents influence their mesophases and self-assembly behavior. Eight mesophases were obtained by changing the factors mentioned above. The eight phases are hexagonal columnar–amorphous (Colh-Am), nematic columnar–amorphous (Colne-Am), nematic columnar–clustered (Colne-Clu), nematic columnar–columnar (Colne-Col), random columns–amorphous (Colran-Am), random columnar–clustered (Colran-Clu), amorphous–amorphous (Am-Am), and sphere–amorphous (Sph-Am). The name of mesophase is denoted as “assembly of discogens-aggregation of backbone”. By checking conformation of molecules, the intracolumnar self-assembling patterns based on the discrete columnar stack (DCS) were observed in Colh-Am, Colne-Am, and Colne-Clu, while Colne-Col and Sph-Am adopted different packing modes. Moreover, molecular weight effect and positive coupling of spacer were discolosed, which matches well with experiments. Moderate or strong incompatibility between mesogenic cores and substituents and proper peripheral aliphatic tails are needed for SDLCPs to form ordered mesophases. The in-depth understranding of their superstructures may offer inspiring guidance for rational polymer design, preparation, and further exploration in optoelectronic field.

Publisher URL: http://dx.doi.org/10.1021/acs.macromol.7b00655

DOI: 10.1021/acs.macromol.7b00655

You might also like
Discover & Discuss Important Research

Keeping up-to-date with research can feel impossible, with papers being published faster than you'll ever be able to read them. That's where Researcher comes in: we're simplifying discovery and making important discussions happen. With over 19,000 sources, including peer-reviewed journals, preprints, blogs, universities, podcasts and Live events across 10 research areas, you'll never miss what's important to you. It's like social media, but better. Oh, and we should mention - it's free.

  • Download from Google Play
  • Download from App Store
  • Download from AppInChina

Researcher displays publicly available abstracts and doesn’t host any full article content. If the content is open access, we will direct clicks from the abstracts to the publisher website and display the PDF copy on our platform. Clicks to view the full text will be directed to the publisher website, where only users with subscriptions or access through their institution are able to view the full article.