Déjardin, Pierre-Michel ; Pabst, Florian ; Cornaton, Yann ; Helbling, Andreas ; Blochowicz, Thomas (2022)
Temperature dependence of the Kirkwood correlation factor and linear dielectric constant of simple isotropic polar fluids.
In: Physical Review E, 105 (2)
doi: 10.1103/PhysRevE.105.024108
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
The theory developed in an accompanying paper [Déjardin, Phys. Rev. E 105, 024109 (2022)10.1103/PhysRevE.105.024109] is used to compute the Kirkwood correlation factor of simple polar fluids of different nature. From this calculation, the theoretical static permittivity is readily obtained, which is compared with experimental values. This is accomplished by fitting only one parameter accounting for induction or dispersion forces and torques, which is necessarily connected with the individual molecular polarizability but not explicitly related to the physical properties due to the nonadditivity of such energies. Excellent agreement between theoretical and experimental static permittivities is obtained over a very broad temperature range for a number of associated and nonassociated liquids. Finally, limitations of the present theory are given.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2022 |
| Autor(en): | Déjardin, Pierre-Michel ; Pabst, Florian ; Cornaton, Yann ; Helbling, Andreas ; Blochowicz, Thomas |
| Art des Eintrags: | Bibliographie |
| Titel: | Temperature dependence of the Kirkwood correlation factor and linear dielectric constant of simple isotropic polar fluids. |
| Sprache: | Deutsch |
| Publikationsjahr: | 8 Februar 2022 |
| Verlag: | APS |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Physical Review E |
| Jahrgang/Volume einer Zeitschrift: | 105 |
| (Heft-)Nummer: | 2 |
| DOI: | 10.1103/PhysRevE.105.024108 |
| Kurzbeschreibung (Abstract): | The theory developed in an accompanying paper [Déjardin, Phys. Rev. E 105, 024109 (2022)10.1103/PhysRevE.105.024109] is used to compute the Kirkwood correlation factor of simple polar fluids of different nature. From this calculation, the theoretical static permittivity is readily obtained, which is compared with experimental values. This is accomplished by fitting only one parameter accounting for induction or dispersion forces and torques, which is necessarily connected with the individual molecular polarizability but not explicitly related to the physical properties due to the nonadditivity of such energies. Excellent agreement between theoretical and experimental static permittivities is obtained over a very broad temperature range for a number of associated and nonassociated liquids. Finally, limitations of the present theory are given. |
| ID-Nummer: | pmid:35291170 |
| Zusätzliche Informationen: | Art.No.: 024108 |
| Fachbereich(e)/-gebiet(e): | 05 Fachbereich Physik 05 Fachbereich Physik > Institut für Festkörperphysik (2021 umbenannt in Institut für Physik Kondensierter Materie (IPKM)) 05 Fachbereich Physik > Institut für Festkörperphysik (2021 umbenannt in Institut für Physik Kondensierter Materie (IPKM)) > Struktur und Dynamik amorpher Systeme |
| Hinterlegungsdatum: | 25 Aug 2022 08:34 |
| Letzte Änderung: | 25 Aug 2022 08:34 |
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