Dielectric relaxation of supercritical water: Computer simulations

摘要

Dielectric relaxation times of supercritical SPC/E water from molecular dynamics simulations are found to be in good agreement with recent experimental data for densities p>=0.4 g/cm~(3), but the sharp increase in the experimental Debye time as p decreases is not reproduced. Large discrepancies between experimental and simulation data in the dilute regime strongly suggest the need for aditional measurements and/or theoretical work.