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
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Czech description
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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
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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
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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
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