About: Ion Adsorption at the Rutile-Water Interface: Linking Molecular and Macroscopic Properties

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Strukturní rentgenová měření jsou použita k určení atomárního uspořádání adsorbovaných iontů, koordinace vodních molekul v rozhraní a struktury zakončení povrchu. Ab initio výpočty a molekulárně dynamické simulace jsou testovány přímým srovnáním s rentgenovými výsledky. Titrační a elektrokinetické experimenty poskytují makroskopické hodnoty vlastností elektrické dvojvrstvy, které jsou srovnány se Sternovým modelem povrchové komplexace. (cs) In situ X-ray reflectivity and X-ray standing-wave measurements are used to define the atomic arrangement of adsorbed ions, the coordination of interfacial water molecules, and substrate surface termination and structure. Ab initio calculations and molecular dynamics simulations are validated through direct comparison to the X-ray results and are used to predict ion distributions not measured experimentally. Titration and electrokinetic results for rutile powders having predominant (110) surface expression provide macroscopic constraints of EDL properties (e.g., proton release) which are evaluated by comparison with a Stern-based surface complexation model. In situ X-ray reflectivity and X-ray standing-wave measurements are used to define the atomic arrangement of adsorbed ions, the coordination of interfacial water molecules, and substrate surface termination and structure. Ab initio calculations and molecular dynamics simulations are validated through direct comparison to the X-ray results and are used to predict ion distributions not measured experimentally. Titration and electrokinetic results for rutile powders having predominant (110) surface expression provide macroscopic constraints of EDL properties (e.g., proton release) which are evaluated by comparison with a Stern-based surface complexation model. (en)
Title	Ion Adsorption at the Rutile-Water Interface: Linking Molecular and Macroscopic Properties Ion Adsorption at the Rutile-Water Interface: Linking Molecular and Macroscopic Properties (en) Adsorpce iontů na rozhraní rutil-voda: Propojení molekulárních a makroskopických vlastností (cs)
skos:prefLabel	Ion Adsorption at the Rutile-Water Interface: Linking Molecular and Macroscopic Properties Ion Adsorption at the Rutile-Water Interface: Linking Molecular and Macroscopic Properties (en) Adsorpce iontů na rozhraní rutil-voda: Propojení molekulárních a makroskopických vlastností (cs)
skos:notation	RIV/67985858:_____/04:00104785!RIV/2005/GA0/A27005/N
http://linked.open.../vavai/riv/strany	4954;4969
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GP203/03/P083), Z(AV0Z4072921)
http://linked.open...iv/cisloPeriodika	12
http://linked.open...vai/riv/dodaniDat	2005
http://linked.open...aciTvurceVysledku	Předota, Milan
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav chemických procesů AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	568963
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/04:00104785
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ion adsorption rutile (en)
http://linked.open.../riv/klicoveSlovo	ion adsorption rutile
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[54A6A02D6D82]
http://linked.open...i/riv/nazevZdroje	Langmuir
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	12 (xsd:int)
http://linked.open...vavai/riv/projekt	Theory and molecular simulation of electric double-layer at solid-liquid interface
http://linked.open...UplatneniVysledku	2004
http://linked.open...v/svazekPeriodika	20
http://linked.open...iv/tvurceVysledku	Předota, Milan Zhang, Z. Cheng, L. Bandura, A. Cummings, P. T. Chialvo, A. A. Kubicki, J. D. Ridley, M. K. Fenter, P. Bedzyk, M. J. Lvov, S. N. Sturchio, N. C.
http://linked.open...n/vavai/riv/zamer	Theoretical fundamentals of chemical processes: equilibrium and dynamic behavior of multiphase reacting systems
issn	0743-7463
number of pages	16 (xsd:int)

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