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Title: Dynamics of Water in Gemini Surfactant-Based Lyotropic Liquid Crystals

Abstract

The dynamics of water confined to nanometer-sized domains is important in a variety of applications ranging from proton exchange membranes to crowding effects in biophysics. In this work we study the dynamics of water in gemini surfactant-based lyotropic liquid crystals (LLCs) using molecular dynamics simulations. These systems have well characterized morphologies, e.g., hexagonal, gyroid, and lamellar, and the surfaces of the confining regions can be controlled by modifying the headgroup of the surfactants. This allows one to study the effect of topology, functionalization, and interfacial curvature on the dynamics of confined water. Through analysis of the translational diffusion and rotational relaxation we conclude that the hydration level and resulting confinement lengthscale is the predominate determiner of the rates of water dynamics, and other effects, namely surface functionality and curvature, are largely secondary. In conclusion, this novel analysis of the water dynamics in these LLC systems provides an important comparison for previous studies of water dynamics in lipid bilayers and reverse micelles.

Authors:
 [1];  [1]; ORCiD logo [1]
  1. Univ. of Wisconsin, Madison, WI (United States). Dept. of Chemistry
Publication Date:
Research Org.:
Univ. of Wisconsin, Madison, WI (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Science Foundation (NSF)
OSTI Identifier:
1341623
Report Number(s):
DOE-UWMadison-46938-5th product
Journal ID: ISSN 1520-6106; DE-FG02-13ER46938
Grant/Contract Number:
SC0010328; CHE-0840494
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry
Additional Journal Information:
Journal Volume: 120; Journal Issue: 41; Journal ID: ISSN 1520-6106
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; water dynamics; nanconfinement; lyotropic; liquid crystal

Citation Formats

McDaniel, Jesse G., Mantha, Sriteja, and Yethiraj, Arun. Dynamics of Water in Gemini Surfactant-Based Lyotropic Liquid Crystals. United States: N. p., 2016. Web. doi:10.1021/acs.jpcb.6b08087.
McDaniel, Jesse G., Mantha, Sriteja, & Yethiraj, Arun. Dynamics of Water in Gemini Surfactant-Based Lyotropic Liquid Crystals. United States. doi:10.1021/acs.jpcb.6b08087.
McDaniel, Jesse G., Mantha, Sriteja, and Yethiraj, Arun. 2016. "Dynamics of Water in Gemini Surfactant-Based Lyotropic Liquid Crystals". United States. doi:10.1021/acs.jpcb.6b08087. https://www.osti.gov/servlets/purl/1341623.
@article{osti_1341623,
title = {Dynamics of Water in Gemini Surfactant-Based Lyotropic Liquid Crystals},
author = {McDaniel, Jesse G. and Mantha, Sriteja and Yethiraj, Arun},
abstractNote = {The dynamics of water confined to nanometer-sized domains is important in a variety of applications ranging from proton exchange membranes to crowding effects in biophysics. In this work we study the dynamics of water in gemini surfactant-based lyotropic liquid crystals (LLCs) using molecular dynamics simulations. These systems have well characterized morphologies, e.g., hexagonal, gyroid, and lamellar, and the surfaces of the confining regions can be controlled by modifying the headgroup of the surfactants. This allows one to study the effect of topology, functionalization, and interfacial curvature on the dynamics of confined water. Through analysis of the translational diffusion and rotational relaxation we conclude that the hydration level and resulting confinement lengthscale is the predominate determiner of the rates of water dynamics, and other effects, namely surface functionality and curvature, are largely secondary. In conclusion, this novel analysis of the water dynamics in these LLC systems provides an important comparison for previous studies of water dynamics in lipid bilayers and reverse micelles.},
doi = {10.1021/acs.jpcb.6b08087},
journal = {Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry},
number = 41,
volume = 120,
place = {United States},
year = 2016,
month = 9
}

Journal Article:
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Cited by: 2works
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