Impact of magnetic field amplitude and concentration of Fe nanoparticles on the thermal properties of sodium sulfate/magnesium chloride hexahydrate phase change material through molecular dynamics simulation
Thermal Science and Engineering Progress, cilt.75, 2026 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 75
- Basım Tarihi: 2026
- Doi Numarası: 10.1016/j.tsep.2026.104786
- Dergi Adı: Thermal Science and Engineering Progress
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Compendex, INSPEC
- Anahtar Kelimeler: Magnetic Field, Molecular Dynamics Simulation, Phase Change Material, Sodium Sulfate/Magnesium Chloride Hexahydrate, Thermal Behavior
- İstanbul Gelişim Üniversitesi Adresli: Evet
Özet
Phase change materials (PCMs) are widely employed for thermal energy storage due to their high latent heat capacity and favorable thermophysical stability. However, their relatively low thermal response limits practical efficiency, necessitating advanced strategies to enhance performance. In this study, molecular dynamics simulation was used to systematically investigate the combined effects of magnetic field amplitude (0.001–0.005 T) and Fe nanoparticle concentration (1–5%) on the thermal behavior of a hybrid Na2SO4/MgCl2·6H2O PCM system. The novelty of this work lies in the coupled atomistic-level evaluation of external field intensity and nanoparticle loading, providing a unified framework to understand their synergistic influence on heat transfer characteristics. The simulation domain was first equilibrated under the NVT ensemble at 300 K, followed by NVE conditions to capture intrinsic thermal responses. The results clearly demonstrate that increasing the magnetic field amplitude enhances atomic mobility and energy redistribution, resulting in a rise in the maximum temperature from 423.22 K to 477.53 K and a corresponding increase in heat flux. In contrast, the effect of Fe nanoparticle concentration showed a non-monotonic trend, where thermal performance improved up to an optimal value of 3%, after which it declined due to nanoparticle agglomeration and increased interfacial resistance. The optimized system exhibited a maximum temperature of 455.28 K along with improved thermal response characteristics. These findings provide mechanistic insight into the role of external fields and nanoparticle additives in tuning PCM performance at the nanoscale, offering a potential pathway for the design of advanced thermal energy storage materials in engineering applications.