10.1186/2228-5326-3-58

Molecular dynamics simulation of the specific heat capacity of water-Cu nanofluids

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  • Ali Rajabpour1,
  • Farrokh Yousefi Akizi2,
  • Mohammad Mahdi Heyhat*3,
  • Kiarash Gordiz4,
  1. Mechanical Engineering Department, Imam Khomeini International University, Qazvin, 34194-288, IR
  2. Institute for Advanced Studies in Basic Sciences, Zanjan, 45195-1159, IR
  3. Faculty of Mechanical Engineering, K. N. Toosi University of Technology, Tehran, IR
  4. The George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, US
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Published in Issue 2013-11-27

How to Cite

Rajabpour, A., Akizi, F. Y., Heyhat, M. M., & Gordiz, K. (2013). Molecular dynamics simulation of the specific heat capacity of water-Cu nanofluids. International Nano Letters, 3(1 (December 2013). https://doi.org/10.1186/2228-5326-3-58
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Abstract

Abstract This paper presents molecular dynamics (MD) modeling for calculating the specific heat of nanofluids containing copper nanoparticles. The Cu nanoparticles with 2-nm diameter were considered to be dispersed in water as base liquid. The MD modeling procedure presented and implemented to calculate the specific heat of nanofluids with volume fractions of 2 to 10%. Obtained results show that the specific heat capacity of Cu-water nanofluids decreases gradually with increasing volume concentration of nanoparticles. The simulation results are compared with two existing applied models for prediction of the specific heat of the nanofluid. The obtained specific heat results from the MD simulation and the prediction from the thermal equilibrium model for calculating specific heat of nanofluids exhibit good agreement and the other simple mixing model fails to predict the specific heat capacity of Cu-water nanofluids particularly at high volume fractions.

Keywords

  • Nanofluids,
  • Molecular dynamics simulation,
  • Specific heat capacity
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