ArticleScience advances2021
Molecular insights on confined water in the nanochannels of self-assembled ionic liquid crystal.
Article in Science advances, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- Supramolecular Polymorphism of the Hydrogen-BondedJournal of the American Chemical Society · 2025Article
- Molecular engineering of supramolecular polymer adhesive with confined water and a single crown ether.Chemical science · 2025Article
- Article
- Strength, number, and kinetics of hydrogen bonds for water confined inside boron nitride nanotubes.Nanoscale advances · 2024Article
- Electrochemical Detection of Selective Anion Transport through Subnanopores in Liquid-Crystalline Water Treatment Membranes.The journal of physical chemistry. B · 2024Article
- Suppressed terahertz dynamics of water confined in nanometer gaps.Science advances · 2024Article
- Aquatic Functional Liquid Crystals: Design, Functionalization, and Molecular Simulation.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2024Article
- Hydrogen-Bonded Structures of Water Molecules in Hydroxy-Functionalized Nanochannels of Columnar Liquid Crystalline Nanostructured Membranes Studied by Soft X-ray Emission Spectroscopy.The journal of physical chemistry letters · 2024Article
- Contrasting Changes in Strongly and Weakly Bound Hydration Water of a Protein upon Denaturation.The journal of physical chemistry. B · 2023Article
- Article
- Infrared Spectra and Hydrogen-Bond Configurations of Water Molecules at the Interface of Water-Insoluble Polymers under Humidified Conditions.The journal of physical chemistry. B · 2022Article
- Atomistic Simulations of the Permeability and Dynamic Transportation Characteristics of Diamond Nanochannels.Nanomaterials (Basel, Switzerland) · 2022Article
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Authors and funding
5 authors.
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Abstract
Self-assembled ionic liquid crystals can transport water and ions via the periodic nanochannels, and these materials are promising candidates as water treatment membranes. Molecular insights on the water transport process are, however, less investigated because of computational difficulties of ionic soft matters and the self-assembly. Here we report specific behavior of water molecules in the nanochannels by using the self-consistent modeling combining density functional theory and molecular dynamics and the large-scale molecular dynamics calculation. The simulations clearly provide the one-dimensional (1D) and 3D-interconnected nanochannels of self-assembled columnar and bicontinuous structures, respectively, with the precise mesoscale order observed by x-ray diffraction measurement. Water molecules are then confined inside the nanochannels with the formation of hydrogen bonding network. The quantitative analyses of free energetics and anisotropic diffusivity reveal that, the mesoscale geometry of 1D nanodomain profits the nature of water transport via advantages of dissolution and diffusion mechanisms inside the ionic nanochannels.
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