A nanofluid model is simulated by molecular dynamics (MD) approach. The simulated nanofluid has been a dispersion of single walled carbon nanotubes (CNT) in liquid water. Intermolecular force in liquid water has been determined using TIP4P model, and, interatomic force due to carbon nanotube has been calculated by the simplified form of Brenner's potential. However, interaction between molecules of water and atoms of carbon nanotube is modeled by Lennard-Jones potential. The Green–Kubo method is employed to predict the effective thermal conductivity of the nanofluid, and, effect of temperature is sought. The obtained results are checked against experimental data, and, good agreement between them is observed.
A Molecular Dynamics Simulation for Thermal Conductivity Evaluation of Carbon Nanotube-Water Nanofluids
Contributed by the Heat Transfer Division of ASME for publication in the Journal of Heat Transfer. Manuscript received June 27, 2012; final manuscript received November 4, 2012; published online March 20, 2013. Assoc. Editor: Robert D. Tzou.
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Javanmardi, M. J., and Jafarpur, K. (March 20, 2013). "A Molecular Dynamics Simulation for Thermal Conductivity Evaluation of Carbon Nanotube-Water Nanofluids." ASME. J. Heat Transfer. April 2013; 135(4): 042401. https://doi.org/10.1115/1.4022997
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