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| rdf:type
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| Description
| - Molekulárně dynamické simulace byly provedeny k charakterizování dynamických vlastností rozhraní mezi vodným elektrolytem a (110) rutilovým povrchem (alfa-TiO2). Nehomogenní viskozita vody (v kapalné fázi) mezi dvěma rutilovými povrchy byla poprvé určena ze simulací. Profily viskozity a difuzivity ukazují tři rozdílné oblasti jako funkce vzdálenosti od povrchu: (i) oblast dvou adsorbovaných vrstev vody se zjevně nekonečnou viskozitou a nulovou difuzivitou, (ii) nehomogenní oblast v rozhraní tvořená dalšími 2-3mi vrstvami a (iii) homogenní chování pozorované již 15 A od povrchu. Druhá vrstva adsorbovaných molekul vody se s růstem teploty až do 523 K stává méně vázanou k povrchu. Naše výsledky doplňují naše předchozí strukturní závěry a potvrzují, že nejen strukturní, ale i dynamické vlastnosti rozhraní indikují, že vliv povrchu je zanedbatelný 15-20 A od něj. (cs)
- Molecular dynamics simulations were conducted to characterize the dynamic properties of the interface between aqueous electrolyte and the (110) surface of rutile (alpha-TiO2). For the first time, the inhomogeneous viscosity of water (at liquid density) in a slab formed by two rutile surfaces was determined computationally. The viscosity and diffusivity profiles show three different regions as a function of distance from the surface: (i) a region of two adsorbed layers of water molecules with apparently infinite viscosity and zero diffusivity, (ii) an interfacial inhomogeneous region consisting of additional 2-3 layers, and (iii) bulk-liquid behavior recovered as close as 15 A from the surface. Our results supplement our previous structural findings and confirm that not only the structural but also the dynamic properties of the interface indicate that bulk properties are recovered within about 15-20 A from the surface.
- Molecular dynamics simulations were conducted to characterize the dynamic properties of the interface between aqueous electrolyte and the (110) surface of rutile (alpha-TiO2). For the first time, the inhomogeneous viscosity of water (at liquid density) in a slab formed by two rutile surfaces was determined computationally. The viscosity and diffusivity profiles show three different regions as a function of distance from the surface: (i) a region of two adsorbed layers of water molecules with apparently infinite viscosity and zero diffusivity, (ii) an interfacial inhomogeneous region consisting of additional 2-3 layers, and (iii) bulk-liquid behavior recovered as close as 15 A from the surface. Our results supplement our previous structural findings and confirm that not only the structural but also the dynamic properties of the interface indicate that bulk properties are recovered within about 15-20 A from the surface. (en)
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| Title
| - Electric Double Layer at the Rutile (110) Surface. 3. Inhomogeneous Viscosity and Diffusivity Measurement by Computer Simulations
- Electric Double Layer at the Rutile (110) Surface. 3. Inhomogeneous Viscosity and Diffusivity Measurement by Computer Simulations (en)
- Elektrická dvojvrstva u rutilového (110) povrchu. 3. Měření nehomogenní viskozity pomocí počítačových simulací (cs)
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| skos:prefLabel
| - Electric Double Layer at the Rutile (110) Surface. 3. Inhomogeneous Viscosity and Diffusivity Measurement by Computer Simulations
- Electric Double Layer at the Rutile (110) Surface. 3. Inhomogeneous Viscosity and Diffusivity Measurement by Computer Simulations (en)
- Elektrická dvojvrstva u rutilového (110) povrchu. 3. Měření nehomogenní viskozity pomocí počítačových simulací (cs)
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| skos:notation
| - RIV/67985858:_____/07:00081926!RIV07-AV0-67985858
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| http://linked.open.../vavai/riv/strany
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| http://linked.open...avai/riv/aktivita
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| http://linked.open...avai/riv/aktivity
| - P(1ET400720507), P(GP203/03/P083), Z(AV0Z40720504)
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| http://linked.open...iv/cisloPeriodika
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| http://linked.open...vai/riv/dodaniDat
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| http://linked.open...aciTvurceVysledku
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| http://linked.open.../riv/druhVysledku
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| http://linked.open...iv/duvernostUdaju
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| http://linked.open...titaPredkladatele
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| http://linked.open...dnocenehoVysledku
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| http://linked.open...ai/riv/idVysledku
| - RIV/67985858:_____/07:00081926
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| http://linked.open...riv/jazykVysledku
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| http://linked.open.../riv/klicovaSlova
| - viscosity; rutile; interface (en)
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| http://linked.open.../riv/klicoveSlovo
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| http://linked.open...odStatuVydavatele
| - US - Spojené státy americké
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| http://linked.open...ontrolniKodProRIV
| |
| http://linked.open...i/riv/nazevZdroje
| - Journal of Physical Chemistry C
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| http://linked.open...in/vavai/riv/obor
| |
| http://linked.open...ichTvurcuVysledku
| |
| http://linked.open...cetTvurcuVysledku
| |
| http://linked.open...vavai/riv/projekt
| |
| http://linked.open...UplatneniVysledku
| |
| http://linked.open...v/svazekPeriodika
| |
| http://linked.open...iv/tvurceVysledku
| - Předota, Milan
- Cummings, P. T.
- Wesolowski, D. J.
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| http://linked.open...n/vavai/riv/zamer
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| issn
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| number of pages
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| is http://linked.open...avai/riv/vysledek
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