Physical properties of liquid water by molecular dynamics simulations
- 1 January 1994
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions
- Vol. 90 (20) , 3039-3049
- https://doi.org/10.1039/ft9949003039
Abstract
We Calculate the temperature dependence of the thermodynamic, structural and dynamic properties of the simple point-charge model, SPC/E, water. We compute for the first time the infinite-frequency shear modulus and the shear viscosity of the model water. The self-diffusion coefficients are approximately twice the experimental value and the shear viscosities are correspondingly about half the experimental value, indicating that the model is under-estimating the strength of hydrogen-bond formation within the liquid.Keywords
This publication has 0 references indexed in Scilit: