Dynamics of Water in Gemini Surfactant-Based Lyotropic Liquid Crystals

McDaniel, Jesse G.; Mantha, Sriteja; Yethiraj, Arun

doi:10.1021/acs.jpcb.6b08087

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

Journal Article · Mon Sep 26 00:00:00 EDT 2016 · Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry

DOI:https://doi.org/10.1021/acs.jpcb.6b08087· OSTI ID:1341623

McDaniel, Jesse G. ^[1]; Mantha, Sriteja ^[1];

^[1]

Univ. of Wisconsin, Madison, WI (United States). Dept. of Chemistry

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.

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Research Organization:: Univ. of Wisconsin, Madison, WI (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

Grant/Contract Number:: SC0010328; CHE-0840494

OSTI ID:: 1341623

Report Number(s):: DOE-UWMadison-46938-5th product; DE-FG02-13ER46938

Journal Information:: Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry, Vol. 120, Issue 41; ISSN 1520-6106

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 12 works

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