Nonlinear dielectric relaxation of polar liquids

Samanta, Tuhin; Matyushov, Dmitry V.

doi:10.1016/j.molliq.2022.119935

Title: Nonlinear dielectric relaxation of polar liquids

Journal Article · 30 July 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.

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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

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

References (35)

Orientational dynamics of hydrogen-bonded liquids - A comparative study of dielectric and nuclear magnetic relaxation in n-butanol-tetrachloromethane mixtures Nadolny, Holger; Volmari, Andreas; Weingärtner, Hermann Berichte der Bunsengesellschaft für physikalische Chemie, Vol. 102, Issue 6 https://doi.org/10.1002/bbpc.19981020612	journal	June 1998
Nonlinear Dielectric Response of Polar Liquids Matyushov, Dmitry V. Advances in Dielectrics https://doi.org/10.1007/978-3-319-77574-6_1	book	January 2018
Cross terms and Kirkwood factors in dielectric relaxation of pure liquids Volmari, Andreas; Weingärtner, Hermann Journal of Molecular Liquids, Vol. 98-99 https://doi.org/10.1016/S0167-7322(01)00334-8	journal	May 2002
Rotational and translational dynamics of the SPC/E water model Meyer, Nadège; Piquet, Vincent; Wax, Jean-François Journal of Molecular Liquids, Vol. 275 https://doi.org/10.1016/j.molliq.2018.08.024	journal	February 2019
Generic Structural Relaxation in Supercooled Liquids Pabst, Florian; Gabriel, Jan Philipp; Böhmer, Till The Journal of Physical Chemistry Letters, Vol. 12, Issue 14 https://doi.org/10.1021/acs.jpclett.1c00753	journal	April 2021
Vibrational Spectroscopy as a Probe of Structure and Dynamics in Liquid Water Bakker, H. J.; Skinner, J. L. Chemical Reviews, Vol. 110, Issue 3 https://doi.org/10.1021/cr9001879	journal	March 2010
The missing term in effective pair potentials Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. The Journal of Physical Chemistry, Vol. 91, Issue 24 https://doi.org/10.1021/j100308a038	journal	November 1987
Simple Liquid Models with Corrected Dielectric Constants Fennell, Christopher J.; Li, Libo; Dill, Ken A. The Journal of Physical Chemistry B, Vol. 116, Issue 23 https://doi.org/10.1021/jp3002383	journal	March 2012
Time scales of water dynamics at biological interfaces: peptides, proteins and cells Qvist, Johan; Persson, Erik; Mattea, Carlos Faraday Discuss., Vol. 141 https://doi.org/10.1039/B806194G	journal	January 2009
Micellar confinement disrupts collective structure and accelerates collective dynamics of encapsulated water Honegger, Philipp; Schmollngruber, Michael; Steinhauser, Othmar Physical Chemistry Chemical Physics, Vol. 20, Issue 16 https://doi.org/10.1039/C8CP01508B	journal	January 2018
Intermolecular cross-correlations in the dielectric response of glycerol Gabriel, Jan Philipp; Zourchang, Parvaneh; Pabst, Florian Physical Chemistry Chemical Physics, Vol. 22, Issue 20 https://doi.org/10.1039/C9CP06344G	journal	January 2020
Further study of high field dielectric effects in H2O, D2O and ionic solutions Davies, Ann E.; van der Sluijs, Marijke J.; Jones, Gwilym Parry Journal of the Chemical Society, Faraday Transactions 2, Vol. 74 https://doi.org/10.1039/f29787400571	journal	January 1978
Dipole solvation in dielectrics Matyushov, Dmitry V. The Journal of Chemical Physics, Vol. 120, Issue 3 https://doi.org/10.1063/1.1633545	journal	January 2004
Exact Solution of the Mean Spherical Model for Fluids of Hard Spheres with Permanent Electric Dipole Moments Wertheim, M. S. The Journal of Chemical Physics, Vol. 55, Issue 9 https://doi.org/10.1063/1.1676751	journal	November 1971
Depolarized Light Scattering: Theory of the Sharp and Broad Rayleigh Lines Keyes, Thomas; Kivelson, Daniel The Journal of Chemical Physics, Vol. 56, Issue 3 https://doi.org/10.1063/1.1677267	journal	February 1972
Dielectric Saturation and Hydrogen Bonding Piekara, A. The Journal of Chemical Physics, Vol. 36, Issue 8 https://doi.org/10.1063/1.1732843	journal	April 1962
Collective contributions to the dielectric relaxation of hydrogen-bonded liquids Weingärtner, Hermann; Nadolny, Holger; Oleinikova, Alla The Journal of Chemical Physics, Vol. 120, Issue 24 https://doi.org/10.1063/1.1751392	journal	June 2004
Comparison of simple potential functions for simulating liquid water Jorgensen, William L.; Chandrasekhar, Jayaraman; Madura, Jeffry D. The Journal of Chemical Physics, Vol. 79, Issue 2 https://doi.org/10.1063/1.445869	journal	July 1983
Wave vector dependent static dielectric properties of associated liquids: Methanol Fonseca, Teresa; Ladanyi, Branka M. The Journal of Chemical Physics, Vol. 93, Issue 11 https://doi.org/10.1063/1.459345	journal	December 1990
Dielectric constant of water at high electric fields: Molecular dynamics study Yeh, In-Chul; Berkowitz, Max L. The Journal of Chemical Physics, Vol. 110, Issue 16 https://doi.org/10.1063/1.478698	journal	April 1999
Transport and dielectric properties of water and the influence of coarse-graining: Comparing BMW, SPC/E, and TIP3P models Braun, Daniel; Boresch, Stefan; Steinhauser, Othmar The Journal of Chemical Physics, Vol. 140, Issue 6 https://doi.org/10.1063/1.4864117	journal	February 2014
Nonlinear dielectric response of polar liquids Matyushov, Dmitry V. The Journal of Chemical Physics, Vol. 142, Issue 24 https://doi.org/10.1063/1.4922933	journal	June 2015
Communication: Temperature derivative of the dielectric constant gives access to multipoint correlations in polar liquids Matyushov, Dmitry V.; Richert, Ranko The Journal of Chemical Physics, Vol. 144, Issue 4 https://doi.org/10.1063/1.4941089	journal	January 2016
Transport properties of bulk water at 243–550 K: a Comparative molecular dynamics simulation study using SPC/E, TIP4P, and TIP4P/2005 water models Lee, Song Hi; Kim, Jahun Molecular Physics, Vol. 117, Issue 14 https://doi.org/10.1080/00268976.2018.1562123	journal	January 2019
Theory of dielectric relaxation Kivelson, Daniel; Madden, Paul Molecular Physics, Vol. 30, Issue 6 https://doi.org/10.1080/00268977500103271	journal	December 1975
Computer simulation and the dielectric constant at finite wavelength Neumann, Martin Molecular Physics, Vol. 57, Issue 1 https://doi.org/10.1080/00268978600100081	journal	January 1986
The fluctuation-dissipation theorem Kubo, R. Reports on Progress in Physics, Vol. 29, Issue 1 https://doi.org/10.1088/0034-4885/29/1/306	journal	January 1966
Violation of the fluctuation–dissipation theorem in glassy systems: basic notions and the numerical evidence Crisanti, A.; Ritort, F. Journal of Physics A: Mathematical and General, Vol. 36, Issue 21 https://doi.org/10.1088/0305-4470/36/21/201	journal	May 2003
Computing the dielectric constant of liquid water at constant dielectric displacement Zhang, Chao; Sprik, Michiel Physical Review B, Vol. 93, Issue 14 https://doi.org/10.1103/PhysRevB.93.144201	journal	April 2016
Linear complex susceptibility of long-range interacting dipoles with thermal agitation and weak external ac fields Déjardin, Pierre-Michel; Titov, Sergey V.; Cornaton, Yann Physical Review B, Vol. 99, Issue 2 https://doi.org/10.1103/PhysRevB.99.024304	journal	January 2019
Dipole-dipole correlations and the Debye process in the dielectric response of nonassociating glass forming liquids Pabst, Florian; Helbling, Andreas; Gabriel, Jan Physical Review E, Vol. 102, Issue 1 https://doi.org/10.1103/PhysRevE.102.010606	journal	July 2020
Nonlinear dielectric relaxation of polar molecules in a strong ac electric field: Steady state response Déjardin, J. L.; Kalmykov, Yu. P. Physical Review E, Vol. 61, Issue 2 https://doi.org/10.1103/PhysRevE.61.1211	journal	February 2000
Fluctuation-Dissipation Theorem in Liquid and Glassy Glycerol: Frequency-Dependent Dielectric Permittivity and Dielectric Polarization Fluctuation Measurements Schindele, J.; Reiser, A.; Enss, C. Physical Review Letters, Vol. 107, Issue 9 https://doi.org/10.1103/PhysRevLett.107.095701	journal	August 2011
Universal Behavior of Dielectric Responses of Glass Formers: Role of Dipole-Dipole Interactions Paluch, M.; Knapik, J.; Wojnarowska, Z. Physical Review Letters, Vol. 116, Issue 2 https://doi.org/10.1103/PhysRevLett.116.025702	journal	January 2016
Transport, Collective Motion, and Brownian Motion Mori, Hazime Progress of Theoretical Physics, Vol. 33, Issue 3 https://doi.org/10.1143/PTP.33.423	journal	March 1965

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

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