Model dependence of the electrostatic response to a molecular-sized ion in water

Yoji Kubota, Ryo Akiyama

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

Abstract

The electrostatic response to a molecular-sized ion in water was calculated using molecular dynamics simulations. In our previous study, we adopted the SPC/E model as a water molecule and a strong nonlinearity and fine structure were observed in the polarizability curves. In this study, various models of water molecules were adopted to calculate the electrostatic response of water. The model dependence of the water polarizability was small, and the interesting behavior observed in our previous study was also observed in this study for all water models.

Original languageEnglish
Article numberSA012
Journaljournal of the physical society of japan
Volume81
Issue numberSUPPL. A
DOIs
Publication statusPublished - Sep 2012

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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