The study of liquid water structure and transfer properties by molecular dynamics

Vasily Vl. Mitrofanov

doi:10.1117/12.741009

26 April 2007 The study of liquid water structure and transfer properties by molecular dynamics

Vasily Vl. Mitrofanov

Proceedings Volume 6535, Saratov Fall Meeting 2006: Optical Technologies in Biophysics and Medicine VIII; 65351T (2007) https://doi.org/10.1117/12.741009
Event: Saratov Fall Meeting 2006, 2006, Saratov, Russian Federation

Abstract

In this work, by means of molecular dynamics we continue our research devoted to study of liquid water structure and transfer properties. The system under study is a "water drop" consisting of 1000 water molecules. By using SPC, TIP3P, TIP4P and TIP5P models for water a temperature dependence of selfdiffusion of liquid water is investigated. By means of radial distribution functions analysis an investigation of liquid water structure is performed for SPC, TIP3P, TIP4P and TIP5P models for water. The results obtained are compared with experiment.

Citation Download Citation

Vasily Vl. Mitrofanov "The study of liquid water structure and transfer properties by molecular dynamics", Proc. SPIE 6535, Saratov Fall Meeting 2006: Optical Technologies in Biophysics and Medicine VIII, 65351T (26 April 2007); https://doi.org/10.1117/12.741009

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