Modeling the thermal performance of hybrid paraffin-air nanostructure in a heat sink: Effect of atomic ratio of Al2O3 nanoparticles

This study investigates the effect of varying atomic ratios (1 %, 3 %, 6 %, and 10 %) of Al₂O₃ nanoparticles on the thermal performance of a hybrid paraffin-air nanostructure in a heat sink, using molecular dynamics simulations. The primary objective is to enhance the thermal properties of phase cha...

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Main Authors: Wed khalid Ghanim, Rassol Hamed Rasheed, Ahmed Shawqi Sadeq, Mohammad N. Fares, Soheil Salahshour, Rozbeh Sabetvand
Format: Article
Language:English
Published: Elsevier 2025-06-01
Series:Case Studies in Chemical and Environmental Engineering
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Online Access:http://www.sciencedirect.com/science/article/pii/S2666016425000167
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author Wed khalid Ghanim
Rassol Hamed Rasheed
Ahmed Shawqi Sadeq
Mohammad N. Fares
Soheil Salahshour
Rozbeh Sabetvand
author_facet Wed khalid Ghanim
Rassol Hamed Rasheed
Ahmed Shawqi Sadeq
Mohammad N. Fares
Soheil Salahshour
Rozbeh Sabetvand
author_sort Wed khalid Ghanim
collection DOAJ
description This study investigates the effect of varying atomic ratios (1 %, 3 %, 6 %, and 10 %) of Al₂O₃ nanoparticles on the thermal performance of a hybrid paraffin-air nanostructure in a heat sink, using molecular dynamics simulations. The primary objective is to enhance the thermal properties of phase change materials for efficient energy storage, which is crucial for advancing thermal management systems. The purpose is to optimize nanoparticle concentration and assess how altering the atomic ratio of Al₂O₃ nanoparticles can improve thermal conductivity and heat flux within the phase change material matrix. The results demonstrate that after reaching equilibrium within 20 ns, the total energy of the atomic sample converges to −5990.70 eV, indicating stable atomic oscillations. Notably, increasing Al₂O₃ nanoparticle concentration to 3 % significantly improves the heat flux and thermal conductivity, reaching values of 354.11 W/m2 and 405.42 W/m·K, respectively. The radial distribution function analysis shows a decrease in the maximum peak to 3.49 at the 3 % concentration, suggesting that a higher concentration of oxygen atoms in the material could enhance thermal performance. Furthermore, the maximum temperature within the system increases to 934.17 K at the 3 % atomic ratio. The aggregation time at this concentration is 8.11 ns, which decreases to 6.83 ns at a 10 % atomic ratio, further supporting the detrimental impact of nanoparticle aggregation. Notably, a 3 % concentration is found to be optimal for improving performance. These findings show the critical role of Al₂O₃ nanoparticles in enhancing the thermal performance of phase change material-based systems, offering valuable insights into optimal nanoparticle concentration and aggregation for effective thermal management in energy storage applications.
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spelling doaj-art-f1694619952c4a6aba75b94a7823a7ab2025-01-23T05:27:44ZengElsevierCase Studies in Chemical and Environmental Engineering2666-01642025-06-0111101109Modeling the thermal performance of hybrid paraffin-air nanostructure in a heat sink: Effect of atomic ratio of Al2O3 nanoparticlesWed khalid Ghanim0Rassol Hamed Rasheed1Ahmed Shawqi Sadeq2Mohammad N. Fares3Soheil Salahshour4Rozbeh Sabetvand5Chemical Engineering Department, University of Basrah, Basrah, IraqAir Conditioning Engineering Department, Faculty of Engineering, Warith Al-Anbiyaa University, IraqChemical Engineering Department, University of Basrah, Basrah, IraqChemical Engineering Department, University of Basrah, Basrah, IraqFaculty of Engineering and Natural Sciences, Istanbul Okan University, Istanbul, Turkey; Faculty of Engineering and Natural Sciences, Bahcesehir University, Istanbul, Turkey; Faculty of Science and Letters, Piri Reis University, Tuzla, Istanbul, TurkeyDepartment of Energy Engineering and Physics, Faculty of Condensed Matter Physics, Amirkabir University of Technology, Tehran, Iran; Corresponding author.This study investigates the effect of varying atomic ratios (1 %, 3 %, 6 %, and 10 %) of Al₂O₃ nanoparticles on the thermal performance of a hybrid paraffin-air nanostructure in a heat sink, using molecular dynamics simulations. The primary objective is to enhance the thermal properties of phase change materials for efficient energy storage, which is crucial for advancing thermal management systems. The purpose is to optimize nanoparticle concentration and assess how altering the atomic ratio of Al₂O₃ nanoparticles can improve thermal conductivity and heat flux within the phase change material matrix. The results demonstrate that after reaching equilibrium within 20 ns, the total energy of the atomic sample converges to −5990.70 eV, indicating stable atomic oscillations. Notably, increasing Al₂O₃ nanoparticle concentration to 3 % significantly improves the heat flux and thermal conductivity, reaching values of 354.11 W/m2 and 405.42 W/m·K, respectively. The radial distribution function analysis shows a decrease in the maximum peak to 3.49 at the 3 % concentration, suggesting that a higher concentration of oxygen atoms in the material could enhance thermal performance. Furthermore, the maximum temperature within the system increases to 934.17 K at the 3 % atomic ratio. The aggregation time at this concentration is 8.11 ns, which decreases to 6.83 ns at a 10 % atomic ratio, further supporting the detrimental impact of nanoparticle aggregation. Notably, a 3 % concentration is found to be optimal for improving performance. These findings show the critical role of Al₂O₃ nanoparticles in enhancing the thermal performance of phase change material-based systems, offering valuable insights into optimal nanoparticle concentration and aggregation for effective thermal management in energy storage applications.http://www.sciencedirect.com/science/article/pii/S2666016425000167Thermal performanceAl2O3 nanoparticlesPhase change materialsMolecular dynamics simulation
spellingShingle Wed khalid Ghanim
Rassol Hamed Rasheed
Ahmed Shawqi Sadeq
Mohammad N. Fares
Soheil Salahshour
Rozbeh Sabetvand
Modeling the thermal performance of hybrid paraffin-air nanostructure in a heat sink: Effect of atomic ratio of Al2O3 nanoparticles
Case Studies in Chemical and Environmental Engineering
Thermal performance
Al2O3 nanoparticles
Phase change materials
Molecular dynamics simulation
title Modeling the thermal performance of hybrid paraffin-air nanostructure in a heat sink: Effect of atomic ratio of Al2O3 nanoparticles
title_full Modeling the thermal performance of hybrid paraffin-air nanostructure in a heat sink: Effect of atomic ratio of Al2O3 nanoparticles
title_fullStr Modeling the thermal performance of hybrid paraffin-air nanostructure in a heat sink: Effect of atomic ratio of Al2O3 nanoparticles
title_full_unstemmed Modeling the thermal performance of hybrid paraffin-air nanostructure in a heat sink: Effect of atomic ratio of Al2O3 nanoparticles
title_short Modeling the thermal performance of hybrid paraffin-air nanostructure in a heat sink: Effect of atomic ratio of Al2O3 nanoparticles
title_sort modeling the thermal performance of hybrid paraffin air nanostructure in a heat sink effect of atomic ratio of al2o3 nanoparticles
topic Thermal performance
Al2O3 nanoparticles
Phase change materials
Molecular dynamics simulation
url http://www.sciencedirect.com/science/article/pii/S2666016425000167
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