Dielectric relaxation of supercritical water: computer simulations
The dielectric relaxation times of supercritical water SCW using the SPC/E model show strong deviations from the experimental measurements of K. Okada et al. (1997) in the low-density regime. The experimental dielectric relaxation time (DRT) exhibits a sharp rise as ρ decreases below 0.4 g/cm3, wher...
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2000
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| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v113_n9_p3499_Skaf http://hdl.handle.net/20.500.12110/paper_00219606_v113_n9_p3499_Skaf |
| Aporte de: |
| Sumario: | The dielectric relaxation times of supercritical water SCW using the SPC/E model show strong deviations from the experimental measurements of K. Okada et al. (1997) in the low-density regime. The experimental dielectric relaxation time (DRT) exhibits a sharp rise as ρ decreases below 0.4 g/cm3, whereas a monotonic dependence of DRT with ρ is found in the simulations. Considering the overall highly nonexponential characteristics of the simulated normalized collective-dipole time correlation functions at low densities, the authors are led to believe that estimates for DRT obtained experimental by fitting the spectrum (up to 40 GHz) to a single Debye relation are likely to be highly uncertain. |
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