Nonequilibrium molecular dynamics simulations of nanoconfined fluids at solidliquid interfaces
| Autor: | David N. Sibley, Peter Yatsyshin, Matteo Morciano, Carlos Braga, Pietro Asinari, Benjamin D. Goddard, Andreas Nold, Eliodoro Chiavazzo, Serafim Kalliadasis, Matteo Fasano |
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| Přispěvatelé: | Commission of the European Communities, Engineering & Physical Science Research Council (EPSRC), Engineering & Physical Science Research Council (E |
| Jazyk: | angličtina |
| Rok vydání: | 2017 |
| Předmět: |
nanoconfined fluids
General Physics and Astronomy Thermodynamics Context (language use) 02 engineering and technology Dynamic density 01 natural sciences 09 Engineering Stress (mechanics) Physics::Fluid Dynamics Viscosity Molecular dynamics 0103 physical sciences solid-liquid interfaces Physical and Theoretical Chemistry 010306 general physics Solid liquid Range (particle radiation) Quantitative Biology::Biomolecules 02 Physical Sciences Chemical Physics Chemistry Nonequilibrium 021001 nanoscience & nanotechnology molecular dynamics Chemical physics Wetting 0210 nano-technology 03 Chemical Sciences |
| Zdroj: | Morciano, M, Fasano, M, Nold, A, Braga, C, Yatsyshin, P, Sibley, D N, Goddard, B, Chiavazzo, E, Asinari, P & Kalliadasis, S 2017, ' Nonequilibrium molecular dynamics simulations of nanoconfined fluids at solidliquid interfaces ', The Journal of Chemical Physics, vol. 146, no. 24, 244507 . https://doi.org/10.1063/1.4986904 |
| Popis: | We investigate the hydrodynamic properties of a Lennard-Jones fluid confined to a nanochannel using molecular dynamics simulations. For channels of different widths and hydrophilic-hydrophobic surface wetting properties, profiles of the fluid density, stress, and viscosity across the channel are obtained and analysed. In particular, we propose a linear relationship between the density and viscosity in confined and strongly inhomogeneous nanofluidic flows. The range of validity of this relationship is explored in the context of coarse grained models such as dynamic density functional-theory. |
| Databáze: | OpenAIRE |
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