In this study, molecular dynamics simulations of a water model, SPC/E (extended simple point charge), are carried out in the canonical ensemble over the temperature range 243–273 K with Ewald summation. Radial distribution functions
g
OO
(r),
g
OH
(r), and
g
HH
(r) at 268 K and the transport properties (self‐diffusion coefficients D, viscosities η, and thermal conductivities λ) at 243–273 K for SPC/E water are evaluated and compared with experimental data. The temperature dependence of the transport properties of SPC/E water is discussed.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.