Dielectric relaxation of supercritical water: Computer simulations

Dielectric relaxation times of supercritical SPC/E water from molecular dyn amics simulations are found to be in good agreement with recent experimenta l data for densities rho greater than or equal to 0.4 g/cm(3), but the shar p increase in the experimental Debye time as rho decreases is not reproduce d. Large discrepancies between experimental and simulation data in the dilu te regime strongly suggest the need for additional measurements and/or theo retical work. (C) 2000 American Institute of Physics. [S0021-9606(00)52433- 7].