Temperature-dependence of the dielectric relaxation of water using non-polarizable water models

Zarzycki, Piotr; Gilbert, Benjamin

doi:10.1039/C9CP04578C

Title: Temperature-dependence of the dielectric relaxation of water using non-polarizable water models

Journal Article · Wed Jan 22 00:00:00 UTC 2020 · Physical Chemistry Chemical Physics. PCCP

DOI: https://doi.org/10.1039/C9CP04578C · OSTI ID:1579275

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Energy Geoscience Division, Lawrence Berkeley National Laboratory, Berkeley, USA

Testing the ability of molecular dynamics simulations using non-polarizable water models to reproduce dielectric spectra of bulk liquid water we show that the Debye relaxation is determined by the dynamics of the hydrogen-bond network.

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1579275

Journal Information:: Physical Chemistry Chemical Physics. PCCP, Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Issue: 3 Vol. 22; ISSN 1463-9076; ISSN PPCPFQ

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

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