Investigating the effects of adding hybrid nanoparticles, graphene and boron nitride nanosheets, to octadecane on its thermal properties
AffiliationUniv Arizona, Min & Geol Engn Dept
MetadataShow full item record
PublisherROYAL SOC CHEMISTRY
CitationTafrishi, H., Sadeghzadeh, S., Molaei, F., & Siavoshi, H. (2020). Investigating the effects of adding hybrid nanoparticles, graphene and boron nitride nanosheets, to octadecane on its thermal properties. RSC Advances, 10(25), 14785-14793.
RightsCopyright © The Author(s). Published by The Royal Society of Chemistry 2020. This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.
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AbstractOctadecane is an alkane that is used to store thermal energy at ambient temperature as a phase change material. A molecular dynamics study was conducted to investigate the effects of adding graphene and a boron nitride nanosheet on the thermal and structural properties of octadecane paraffin. The PCFF force field for paraffin, AIREBO potential for graphene, Tersoff potential for the boron nitride nanosheet, and Lennard-Jones potential for the van der Waals interaction between the nanoparticles and n-alkanes were used. Equilibrium and nonequilibrium molecular dynamics simulations were used to study the nano-enhanced phase change material properties. Results showed that the nanocomposite had a lower density change, more heat capacity (except at 300 K), more thermal conductivity, and a lower diffusion coefficient in comparison with pure paraffin. Additionally, the nanocomposite had a higher melting point, higher phonon density of state and radial distribution function peaks.
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Except where otherwise noted, this item's license is described as Copyright © The Author(s). Published by The Royal Society of Chemistry 2020. This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.