Additives-directed lyotropic liquid crystals architecture: Simulations and experiments

Abstract

In this study, alkanes and sucrose esters are employed to investigate the influence of additives on lyotropic liquid crystal architecture. After molecular dynamic simulations and experiment characterization, we showed how the additives control the structure of LLCs. By controlling the polarity of additives, the phase behavior of LLCs can be engineered to form the required structure. Dissipative particle dynamics (DPD) is introduced for simulating the self-assembly of phytantriol (PT), providing intuitionistic images and structure information, which shows that additives with low-polarity complicate the internal structure of liquid crystal systems. Then the ternary phase diagrams of additives, PT, and water are constructed to systematically study the effects of additives on the phase behavior of LLCs. Consistent with DPD simulation results, there is a certain regularity in the effects of additives on the structure of liquid crystals. The difference in the structure of LLCs is due to the variability in the critical packing parameter (CPP) obtained by changing the polarity of additives. Our findings demonstrate that additives polarity is a key factor in LLCs structure, and may pave a promising avenue for novel LLCs development and translation, determining the self-assembly process and the resulting phase of LLCs.

Keywords: Lyotropic liquid crystals; Phase behavior; Phytantriol; Polarity; Simulations.