About: Determination of the distance-dependent viscosity of mixtures in parallel slabs using non-equilibrium molecular dynamics

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About: Determination of the distance-dependent viscosity of mixtures in parallel slabs using non-equilibrium molecular dynamics Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	We generalize a technique for determination of the shear viscosity of mixtures in planar slabs using non-equilibrium computer simulations by applying an external force parallel to the surface generating Poiseuille flow. The distance-dependent viscosity of the mixture, given as a function of the distance from the surface, is determined by analysis of the resulting velocity profiles of all species. We present results for a highly non-ideal water + methanol mixture in the whole concentration range between rutile (TiO2) walls. The bulk results are compared to the existing equilibrium molecular dynamics and experimental data while the inhomogeneous viscosity profiles at the interface are interpreted using the structural data and information on hydrogen bonding. We generalize a technique for determination of the shear viscosity of mixtures in planar slabs using non-equilibrium computer simulations by applying an external force parallel to the surface generating Poiseuille flow. The distance-dependent viscosity of the mixture, given as a function of the distance from the surface, is determined by analysis of the resulting velocity profiles of all species. We present results for a highly non-ideal water + methanol mixture in the whole concentration range between rutile (TiO2) walls. The bulk results are compared to the existing equilibrium molecular dynamics and experimental data while the inhomogeneous viscosity profiles at the interface are interpreted using the structural data and information on hydrogen bonding. (en)
Title	Determination of the distance-dependent viscosity of mixtures in parallel slabs using non-equilibrium molecular dynamics Determination of the distance-dependent viscosity of mixtures in parallel slabs using non-equilibrium molecular dynamics (en)
skos:prefLabel	Determination of the distance-dependent viscosity of mixtures in parallel slabs using non-equilibrium molecular dynamics Determination of the distance-dependent viscosity of mixtures in parallel slabs using non-equilibrium molecular dynamics (en)
skos:notation	RIV/60076658:12310/12:43883213!RIV13-MSM-12310___
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(GA203/08/0094), P(ME09062)
http://linked.open...iv/cisloPeriodika	10
http://linked.open...vai/riv/dodaniDat	2013
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	Jihočeská univerzita v Českých Budějovicích / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	130647
http://linked.open...ai/riv/idVysledku	RIV/60076658:12310/12:43883213
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ADSORPTION; PRESSURE; METHANOL; SIMULATION; POISEUILLE FLOW; WATER INTERFACE; 3-BODY INTERACTIONS; SHEAR VISCOSITY; RUTILE 110 SURFACE; ELECTRIC DOUBLE-LAYER (en)
http://linked.open.../riv/klicoveSlovo	PRESSURE SIMULATION 3-BODY INTERACTIONS ELECTRIC DOUBLE-LAYER METHANOL POISEUILLE FLOW RUTILE 110 SURFACE SHEAR VISCOSITY WATER INTERFACE ADSORPTION
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[5E601D03ED80]
http://linked.open...i/riv/nazevZdroje	Physical Chemistry Chemical Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	Computer modelling study of the structure and dynamics of mineral surfaces and biomembranes and their interactions with organic and inorganic ligands Computer modeling of structural, dynamical and transport properties of fluids in nanospace
http://linked.open...UplatneniVysledku	2012
http://linked.open...v/svazekPeriodika	14
http://linked.open...iv/tvurceVysledku	Předota, Milan Parez, Stanislav
http://linked.open...ain/vavai/riv/wos	000300314100045
issn	1463-9076
number of pages	11 (xsd:int)
http://bibframe.org/vocab/doi	10.1039/c2cp22136e
http://localhost/t...ganizacniJednotka	12310

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