Temperature dependence of the microscopic structure and density anomaly of the SPC/E and TIP4P-Ew water models. Molecular dynamics simulation results

• Published in: Condensed Matter Physics
• Date: 2015
• Main Authors: Galicia-Andrés, E., Dominguez, H., Pizio, O.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2015
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/153513
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Temperature dependence of the microscopic structure and density anomaly of the SPC/E and TIP4P-Ew water models. Molecular dynamics simulation results / E. Galicia-Andrés, H. Dominguez, O. Pizio // Condensed Matter Physics. — 2015. — Т. 18, № 1. — С. 13603:1-11. — Бібліогр.: 42 назв. — англ.

We have investigated temperature trends of the microscopic structure of the SPC/E and TIP4P-Ew water models in terms of the pair distribution functions, coordination numbers, the average number of hydrogen bonds, the distribution of bonding states of a single molecule as well as the angular distribu...