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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todo:paper_00219606_v113_n9_p3499_Skaf2023-10-03T14:23:59Z Dielectric relaxation of supercritical water: computer simulations Skaf, M.S. Laria, D. Boundary conditions Computer simulation Dielectric relaxation Diffusion Molecular dynamics Nuclear magnetic resonance spectroscopy Permittivity Temperature Water Dielectric loss frequency spectra Molecular dynamic simulation Supercritical water Supercritical fluids 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. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_00219606_v113_n9_p3499_Skaf |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-134 |
| collection |
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| topic |
Boundary conditions Computer simulation Dielectric relaxation Diffusion Molecular dynamics Nuclear magnetic resonance spectroscopy Permittivity Temperature Water Dielectric loss frequency spectra Molecular dynamic simulation Supercritical water Supercritical fluids |
| spellingShingle |
Boundary conditions Computer simulation Dielectric relaxation Diffusion Molecular dynamics Nuclear magnetic resonance spectroscopy Permittivity Temperature Water Dielectric loss frequency spectra Molecular dynamic simulation Supercritical water Supercritical fluids Skaf, M.S. Laria, D. Dielectric relaxation of supercritical water: computer simulations |
| topic_facet |
Boundary conditions Computer simulation Dielectric relaxation Diffusion Molecular dynamics Nuclear magnetic resonance spectroscopy Permittivity Temperature Water Dielectric loss frequency spectra Molecular dynamic simulation Supercritical water Supercritical fluids |
| description |
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. |
| format |
JOUR |
| author |
Skaf, M.S. Laria, D. |
| author_facet |
Skaf, M.S. Laria, D. |
| author_sort |
Skaf, M.S. |
| title |
Dielectric relaxation of supercritical water: computer simulations |
| title_short |
Dielectric relaxation of supercritical water: computer simulations |
| title_full |
Dielectric relaxation of supercritical water: computer simulations |
| title_fullStr |
Dielectric relaxation of supercritical water: computer simulations |
| title_full_unstemmed |
Dielectric relaxation of supercritical water: computer simulations |
| title_sort |
dielectric relaxation of supercritical water: computer simulations |
| url |
http://hdl.handle.net/20.500.12110/paper_00219606_v113_n9_p3499_Skaf |
| work_keys_str_mv |
AT skafms dielectricrelaxationofsupercriticalwatercomputersimulations AT lariad dielectricrelaxationofsupercriticalwatercomputersimulations |
| _version_ |
1782025913317195776 |