論文雑誌「Science Advances」のカバーピクチャーを制作しました［兵庫県立大学］

Molecular insights on confined water in the nanochannels of self-assembled ionic liquid crystal
BY YOSHIKI ISHII, NOBUYUKI MATUBAYASI, GO WATANABE, TAKASHI KATO, HITOSHI WASHIZU

ONLINE COVER Self-assembled ionic liquid crystals, which efficiently transport water, electrons, and ions through periodic nanochannels, show promise as water-treatment membranes. However, scientists have found it challenging to investigate this water transport process on a molecular level due to the computational difficulties of studying ionic soft matter and self-assembly. To overcome these challenges and gain further insights into these nanostructured liquid crystal materials, Ishii et al. used self-consistent molecular modeling, combining previously developed functional theory and molecular dynamics and large-scale molecular dynamics simulations to precisely predict the energetic and transport properties of waters within nanochannels. Their simulations allowed them to analyze the 1D and 3D structures of the interconnected nanochannels, revealing a "water pocket" within the nanochannels and demonstrating that the 1D geometry of these nanochannels promotes water transport through dissolution and diffusion mechanisms. The findings may impact a variety of scientific fields, including chemical engineering, material science, and water science. [CREDIT: ART ACTION INC., TAKAYA FUKUI]

Link