Nonlinear dielectric relaxation of polar liquids

Samanta, Tuhin; Matyushov, Dmitry V.

doi:10.1016/j.molliq.2022.119935

Nonlinear dielectric relaxation of polar liquids

Journal Article · Sat Jul 30 00:00:00 EDT 2022 · Journal of Molecular Liquids

DOI:https://doi.org/10.1016/j.molliq.2022.119935· OSTI ID:2420409

Samanta, Tuhin ^[1]; Matyushov, Dmitry V. ^[2]

Arizona State Univ., Tempe, AZ (United States); OSTI
Arizona State Univ., Tempe, AZ (United States)

Molecular dynamics of two water models, SPC/E and TIP3P, at a number of temperatures are used to test the Kivelson-Madden equation connecting single-particle and collective dielectric relaxation times through the Kirkwood factor. The relation is confirmed by simulations and used to estimate the nonlinear effect of the electric field on the dielectric relaxation time. We show that the main effect of the field comes through slowing down of the single-particle rotational dynamics and the relative contribution of the field-induced alteration of the Kirkwood factor is insignificant for water. Theories of nonlinear dielectric relaxation need to mostly account for the effect of the field on rotations of a single dipole in a polar liquid.

View Accepted Manuscript (DOE)

Research Organization:: Arizona State Univ., Tempe, AZ (United States)

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

Grant/Contract Number:: SC0015641

OSTI ID:: 2420409

Alternate ID(s):: OSTI ID: 1881546

Journal Information:: Journal of Molecular Liquids, Journal Name: Journal of Molecular Liquids Journal Issue: C Vol. 364; ISSN 0167-7322

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Nonlinear dielectric relaxation of polar liquids

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