期刊
JOURNAL OF MOLECULAR MODELING
卷 27, 期 9, 页码 -出版社
SPRINGER
DOI: 10.1007/s00894-021-04856-4
关键词
Nanotubes; Viscosity; Nanofluids; Molecular dynamics; Volume fraction
类别
资金
- RCGI - Research Centre for Gas Innovation [2014/50279-4]
- Shell Brazil
Nanofluids have unique properties due to the addition of nanotubes to base materials, and their viscosity can be estimated using molecular dynamics simulation. The relationship between temperature, viscosity, and volume fraction is highlighted in the study.
Nanofluids have received a great deal of interest in recent years because of their various unique features. According to the findings, the addition of nanotubes to the base materials can drastically alter their properties. In the present work, the viscosity of a typical water-based nanofluid containing single-walled carbon nanotubes is estimated using the molecular dynamics simulation for different volume fractions ranging between 0.557 and 3% at two temperatures (298 K and 313 K). The temperature of the systems is controlled using a Nose-Hoover thermostat. For calculating viscosity, the Green-Kubo equilibrium method is used. The enthalpy, potential, kinetic, and total energies are calculated to determine the system's stability. In addition, the influence of molecular mass on these energies is studied. The nanotube under investigation is an armchair(6,6)-type single-walled carbon nanotube. The results highlight the promise of the molecular dynamics simulation technique as a powerful tool in the prediction of nanofluid properties besides the experimental results. The value of viscosity will decrease as the temperature rises, much like the base fluid. Furthermore, it is shown that the viscosity is proportional to the volume fraction of water-SWCNT nanofluid. According to the results, a new viscosity relationship for volume fractions in the range of phi <= 3% is proposed. The viscosity, temperature, and volume fraction are all linked together in this equation.
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