Issue 20, 2022
From the journal:

Physical Chemistry Chemical Physics

Volume viscosity and ultrasonic relaxation of ethanol–water mixtures studied by molecular dynamics simulations†

Tsuyoshi Yamaguchi ORCID logo a  

a Graduate School of Engineering, Nagoya University, Chikusa, Nagoya, 464–8603, Japan
E-mail: yamaguchi.tsuyoshi@material.nagoya-u.ac.jp

Abstract

The volume viscosity of ethanol–water mixtures at various compositions was calculated by means of equilibrium molecular dynamics simulations, and the results were compared with acoustic experiments. The volume viscosity exhibited a strong maximum around the ethanol mole fraction of 0.27, which is in agreement with experiments. The relaxation in the 100 ps regime, which had been revealed by ultrasonic spectroscopy, was also reproduced. Analysis of the two-body density and the adiabatic pressure fluctuation demonstrated that the large volume viscosity of the mixture originates from the long-range concentration fluctuation.

Graphical abstract: Volume viscosity and ultrasonic relaxation of ethanol–water mixtures studied by molecular dynamics simulations

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Article information

DOI
https://doi.org/10.1039/D2CP00856D
Article type
Paper
Submitted
20 Feb 2022
Accepted
21 Apr 2022
First published
22 Apr 2022

Phys. Chem. Chem. Phys., 2022,24, 12311-12318

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Volume viscosity and ultrasonic relaxation of ethanol–water mixtures studied by molecular dynamics simulations

T. Yamaguchi, Phys. Chem. Chem. Phys., 2022, 24, 12311 DOI: 10.1039/D2CP00856D

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