Artículo
Skaf, M.S.; Laria, D. "Dielectric relaxation of supercritical water: computer simulations" (2000) Journal of Chemical Physics. 113(9):3499-3502
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Abstract:
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.
Registro:
| Documento: | Artículo |
| Título: | Dielectric relaxation of supercritical water: computer simulations |
| Autor: | Skaf, M.S.; Laria, D. |
| Ciudad: | Woodbury |
| Filiación: | Instituto de Química, Universidade Estadual de Campinas, Cx. P. 6154, Campinas, SP, 13083-970, Brazil Unidad Actividad Química, Comn. Nac. de Ener. Atómica, Av. Del Libertador 8250, (1429) Capital Federal, Argentina Depto. de Quim. Inorg., Analitica Q., Fac. de Ciencias Exactas y Naturales, Universidad de Buenos Aires, (1428) Capital Federal, Argentina |
| Palabras clave: | 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 |
| Año: | 2000 |
| Volumen: | 113 |
| Número: | 9 |
| Página de inicio: | 3499 |
| Página de fin: | 3502 |
| DOI: | http://dx.doi.org/10.1063/1.1289919 |
| Título revista: | Journal of Chemical Physics |
| Título revista abreviado: | J Chem Phys |
| ISSN: | 00219606 |
| CODEN: | JCPSA |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v113_n9_p3499_Skaf |
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Citas:
---------- APA ----------
Skaf, M.S. & Laria, D. (2000) . Dielectric relaxation of supercritical water: computer simulations. Journal of Chemical Physics, 113(9), 3499-3502.http://dx.doi.org/10.1063/1.1289919
---------- CHICAGO ----------
Skaf, M.S., Laria, D. "Dielectric relaxation of supercritical water: computer simulations" . Journal of Chemical Physics 113, no. 9 (2000) : 3499-3502.http://dx.doi.org/10.1063/1.1289919
---------- MLA ----------
Skaf, M.S., Laria, D. "Dielectric relaxation of supercritical water: computer simulations" . Journal of Chemical Physics, vol. 113, no. 9, 2000, pp. 3499-3502.http://dx.doi.org/10.1063/1.1289919
---------- VANCOUVER ----------
Skaf, M.S., Laria, D. Dielectric relaxation of supercritical water: computer simulations. J Chem Phys. 2000;113(9):3499-3502.http://dx.doi.org/10.1063/1.1289919
