A new correlation for viscosity of model water-carbon nanotube nanofluids: Molecular dynamics simulation
| Autor: | Hossein Namarvari, Naiyer Razmara, Julio Romano Meneghini |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Nanotube
Materials science Intermolecular force Thermodynamics Interatomic potential 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics Radial distribution function 01 natural sciences Atomic and Molecular Physics and Optics 0104 chemical sciences Electronic Optical and Magnetic Materials Molecular dynamics Viscosity Nanofluid Materials Chemistry Water model Physical and Theoretical Chemistry 0210 nano-technology Spectroscopy |
| Zdroj: | Journal of Molecular Liquids. 293:111438 |
| ISSN: | 0167-7322 |
| DOI: | 10.1016/j.molliq.2019.111438 |
| Popis: | In the present study, the viscosity of a model water-based nanofluid including an armchair-type (6,6) single-wall carbon nanotube is examined via Molecular Dynamics Simulation. The flexible four-site water model and the Tersoff empirical interatomic potential model are employed as an intermolecular force between liquid water molecules and as an interatomic potential function of carbon nanotube, respectively. Nevertheless, the interactions among water‑carbon nanotube atoms are modeled by the Lennard-Jones potential. The viscosity of nanofluid is sought using the Green–Kubo method at temperatures of 273 K, 283 K, 293 K, 303 K, and 313 K with volume fractions of 0.418%, 0.557% and 0.6%. The results are assessed with the related experimental data. The Radial Distribution Function is also calculated for its importance and usage to link the microscopic and macroscopic data. In conclusion, a relationship is obtained for the viscosity of water‑carbon nanotube nanofluids, μ = B ζ m T A ζ n + ζ CT , in which volume fraction, temperature and viscosity are linked to each other. The recommended correlation is revealed to be acceptable and accurate for volume fractions in the range of 0.25 % ≤ ϕ ≤ 0.65%. |
| Databáze: | OpenAIRE |
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