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

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12310%2F12%3A43883213" target="_blank" >RIV/60076658:12310/12:43883213 - isvavai.cz</a>

  • Alternative codes found

    RIV/67985858:_____/12:00388530

  • Result on the web

    <a href="http://dx.doi.org/10.1039/c2cp22136e" target="_blank" >http://dx.doi.org/10.1039/c2cp22136e</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1039/c2cp22136e" target="_blank" >10.1039/c2cp22136e</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

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

  • Original language 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 betweenrutile (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.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    CF - Physical chemistry and theoretical chemistry

  • OECD FORD branch

Result continuities

  • Project

    Result was created during the realization of more than one project. More information in the Projects tab.

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Others

  • Publication year

    2012

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Physical Chemistry Chemical Physics

  • ISSN

    1463-9076

  • e-ISSN

  • Volume of the periodical

    14

  • Issue of the periodical within the volume

    10

  • Country of publishing house

    GB - UNITED KINGDOM

  • Number of pages

    11

  • Pages from-to

    3640-3650

  • UT code for WoS article

    000300314100045

  • EID of the result in the Scopus database