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Dissipative particle dynamics investigation of microencapsulated thermal energy storage phase change materials

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  • Rao, Zhonghao
  • Wang, Shuangfeng
  • Peng, Feifei
  • Zhang, Wei
  • Zhang, Yanlai

Abstract

Phase change material (PCM), has been widely researched in many previous works, shows a good potential for thermal energy storage. The present paper investigated the mesoscopic morphologies and evolution mechanism of microencapsulated phase change materials (MEPCMs) using dissipative particle dynamics (DPD) simulations, which has rarely been performed in PCM related studies. The adequate coarse-grained and Flory-Huggins-type models were used to replace the molecular structures and calculate interaction parameters. The MEPCMs were fabricated with methyl trimethoxysilane (MTMS), 3-aminopropyl trimethoxysilane (APTMS) and n-eicosane in watery environment. The results showed that the simulated final configuration presented a cylindrical structure when the relative amount of water is less than the desired value. The size of the encapsulation decreased with the increasing of water concentration and increased with the increasing of core material concentration. The rational proportion of the components can be optimized or confirmed by the DPD simulations. The research indicates that the DPD simulation is an effective method for understanding the encapsulation process.

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  • Rao, Zhonghao & Wang, Shuangfeng & Peng, Feifei & Zhang, Wei & Zhang, Yanlai, 2012. "Dissipative particle dynamics investigation of microencapsulated thermal energy storage phase change materials," Energy, Elsevier, vol. 44(1), pages 805-812.
    • Handle: RePEc:eee:energy:v:44:y:2012:i:1:p:805-812
    DOI: 10.1016/j.energy.2012.05.012
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    3. Zhong, Jie & Wang, Pan & Zhang, Yang & Yan, Youguo & Hu, Songqing & Zhang, Jun, 2013. "Adsorption mechanism of oil components on water-wet mineral surface: A molecular dynamics simulation study," Energy, Elsevier, vol. 59(C), pages 295-300.
    4. Ahmadi, Mohammadali & Chen, Zhangxin, 2022. "Molecular dynamics simulation of oil detachment from hydrophobic quartz surfaces during steam-surfactant Co-injection," Energy, Elsevier, vol. 254(PC).
    5. Tahan Latibari, Sara & Mehrali, Mohammad & Mehrali, Mehdi & Indra Mahlia, Teuku Meurah & Cornelis Metselaar, Hendrik Simon, 2013. "Synthesis, characterization and thermal properties of nanoencapsulated phase change materials via sol–gel method," Energy, Elsevier, vol. 61(C), pages 664-672.
    6. Pandey, Kalpana & Ali, Sana Fatima & Gupta, Sumit Kumar & Saikia, Pranaynil & Rakshit, Dibakar & Saha, Sampa, 2021. "Facile technique to encapsulate phase change material in an amphiphilic polymeric matrix for thermal energy storage," Applied Energy, Elsevier, vol. 292(C).

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