Effect of grafting density on the self-assembly of side-chain discotic liquid crystalline polymers with triphenylene...

The self-assembly of triphenylene (TP)-based side-chain discotic liquid crystalline polymers (SDLCPs) with different grafting densities was investigated by using the dissipative particle dynamics (DPD) method. We explored the coupling effect between the main chain and the side-chain TP discogens with various length alkyl tails, and how the rigidity of the main chain, grafting density and spacer lengths affect the self-assembled morphologies of SDLCPs. By changing the above factors, we have obtained nine phases. It is deduced that a moderate grafting density, a polymer backbone with sufficient length and alkyl tails with medium length ensure SDLCPs form ordered columnar mesophases. It is worth noting that double columnar phases (Colne-Col and Colh-Col) were obtained with high grafting densities and sufficiently long backbones. All these results provide an effective basis and helpful guidance for the in-depth research of such kinds of fascinating organic semiconducting materials, SDLCPs, from the perspective of grafting density.