The statistics of electric field fluctuations in liquid water

Autor(en)

Bernhard Reischl, Jürgen Köfinger, Christoph Dellago

Abstrakt

Electric field fluctuations play a major role in dissociation reactions in liquid water and determine its vibrational spectroscopic response. Here, we study the statistics of electric fields in liquid water using molecular dynamics computer simulations with particular focus on the strong but rare fields that drive dissociation. Our simulations indicate that the important contributions to the electric field acting on OH bonds stem from water molecules less than 7 Å away. Long-ranged contributions play a minor role.

Organisation(en)

Computergestützte Physik und Physik der Weichen Materie

Journal

Molecular Physics: an international journal in the field of chemical physics

Band

107

Seiten

495-502

Anzahl der Seiten

8

ISSN

0026-8976

DOI

https://doi.org/10.1080/00268970902865493

Publikationsdatum

2009

Peer-reviewed

Ja

ÖFOS 2012

1030 Physik, Astronomie

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/03f63960-6ec4-48ef-b31f-46db37bca1f0