Collective Mesoscale Dynamics of Liquid 1-Dodecanol Studied by Neutron Spin-Echo Spectroscopy with Isotopic Substitution and Molecular Dynamics Simulation

Published

January 10, 2019

Author(s)

Tsuyoshi Yamaguchi, Antonio Faraone, Michihiro Nagao

Abstract

The collective dynamics of liquid 1-dodecanol was investigated at a length scale matching the mesoscale structure arising from the segregation of hydrophilic and hydrophobic domains. To this end, neutron spin-echo experiments were performed on a series of partially deuterated samples and the relevant collective dynamic of the hydroxyl groups with respect to the alkyl chains was extracted from the linear combination of the intermediate scattering functions of these samples. The resulting collective dynamics is slower than the single particle dynamics as determined by the measurement on the non-deuterated sample. The experimental results are in excellent agreement with molecular dynamics simulation, which allows further insight into the mechanism of the molecular motions. The results indicate that two factors are responsible for the slower collective dynamics. The first one is the slower dynamics of the hydroxyl group, with respect to the alkyl chains, ought to hydrogen bonding, and the second one is the presence of mesoscale structuring.

Citation

Journal of Physical Chemistry B

Volume

123

Issue

1

Pub Type

Journals

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Citation

Yamaguchi, T. , Faraone, A. and Nagao, M. (2019), Collective Mesoscale Dynamics of Liquid 1-Dodecanol Studied by Neutron Spin-Echo Spectroscopy with Isotopic Substitution and Molecular Dynamics Simulation, Journal of Physical Chemistry B, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=927051 (Accessed January 19, 2025)