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Molecular dynamics study of the thermal behavior of ammonia refrigerant in the presence of copper nanoparticles at different volume ratios and initial temperatures

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Abstract

Generally, the addition of nanoparticles to a fluid significantly increases the thermal conductivity of structures. In the present study, the effect of nanoparticle volume ratio and initial temperature on ammonia/copper nano-refrigerant’s thermal behavior in an external electric field in an aluminum nanochannel was studied by molecular dynamics simulations. To study the thermal behavior of the structures, quantities such as particle phase-changed rates (condensation process), phase change duration, and thermal conductivity were investigated. Results show that with the addition of 5% copper to the base fluid, the rate of the phase-changed particles increases from 53 to 71% during 2.40 ns. Also, increasing the volume ratio of nanoparticles up to 5% leads to an increase in thermal conductivity from 0.76 to 0.86 W/mK. On the other hand, increasing the initial temperature up to 350 K reduces the phase-changed particles’ rate from 53 to 49% during 2.9 ns. The initial temperature increases from 300 to 350 K, and the thermal conductivity decreases from 0.76 to 0.73 W/mK. The results of this simulation are expected to improve the thermal performance of different nano-refrigerants.

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Author notes

  1. Mohammad Ali Fazilati

    Present address: Department of Mechanical Engineering, Khomeinishahr Branch, Islamic Azad University, Khomeinishahr, Iran

Authors and Affiliations

  1. Department of Mechanical Engineering, Khomeinishahr Branch, Islamic Azad University, Khomeinishahr, Iran

    Hossein Abed, Davood Toghraie, Mostafa Pirmoradian & Babak Mehmandoust

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  1. Hossein Abed
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  2. Mohammad Ali Fazilati
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  3. Davood Toghraie
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Correspondence to Davood Toghraie.

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Abed, H., Ali Fazilati, M., Toghraie, D. et al. Molecular dynamics study of the thermal behavior of ammonia refrigerant in the presence of copper nanoparticles at different volume ratios and initial temperatures. J Mol Model 28, 157 (2022). https://doi.org/10.1007/s00894-022-05156-1

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  • DOI: https://doi.org/10.1007/s00894-022-05156-1

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