Ion clusters and ion-water potentials in MD-simulations

• Published in: Condensed Matter Physics
• Date: 2012
• Main Authors: Bopp, Ph.A., Ibuki, K.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2012
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/120269
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Ion clusters and ion-water potentials in MD-simulations / Ph.A. Bopp, K. Ibuki // Condensed Matter Physics. — 2012. — Т. 15, № 2. — С. 23001:1-11. — Бібліогр.: 19 назв. — англ.

A well known, if little documented, problem in many molecular simulations of aqueous ionic solutions at finite concentrations is that unrealistic cation-cation associations are frequently found. One might suspect a defect in the ion-ion interaction potentials, about which not much is known. However,...