Nonequilibrium molecular dynamics calculation of the shear viscosity of liquid water

摘要: The shear viscosity, pressure, and configurational (SPC) internal energy of liquid water at four densities along the 303.15 K isotherm are calculated using nonequilibrium molecular dynamics. interaction between molecules is modeled by SPC pair potential Berendsen co‐workers. simulation results compared with experimental data same temperatures densities. viscosity found to be approximately 50% lower than but has a similar slope as function density. for full those model fluid whose obtained setting electrostatic part zero. remarkably water, suggesting that interactions make very small contribution this fluid.