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Investigating the effects of adding hybrid nanoparticles, graphene and boron nitride nanosheets, to octadecane on its thermal properties.

ABSTRACT: Octadecane 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.

SUBMITTER: Tafrishi H

PROVIDER: S-EPMC9052046 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature

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Investigating the effects of adding hybrid nanoparticles, graphene and boron nitride nanosheets, to octadecane on its thermal properties.

Tafrishi Hossein H Sadeghzadeh Sadegh S Molaei Fatemeh F Siavoshi Hossein H

RSC advances 20200414 25

Octadecane 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 a ...[more]

PMID: 35497137

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Project description:The practical application of polymer composites in the electronic and communications industries often requires multi-properties, such as high thermal conductivity (TC), efficient electromagnetic interference (EMI) shielding ability with low electrical conductivity, superior tribological performance, reliable thermal stability and excellent mechanical properties. However, the integration of these mutually exclusive properties is still a challenge, ascribed to their different requirement on the incorporated nanofillers, composite microstructure as well as processing process. Herein, a well-designed boron nitride nanosheet (BN)/graphene nanosheet (GNP)/polyphenylene sulfide (PPS) composite with a dual-segregated structure is fabricated via high-pressure molding. Rather than homogenous mixing of the hybrid fillers, GNP is first coated on PPS particles and followed by encapsulating the conductive GNP layers with insulating BN, forming a BN shell-GNP layer-PPS core composite particles. After hot-pressing, a dual segregated structure is constructed, in which GNP and BN are distinctly separated and arranged in the interfaces of PPS, which on the one hand gives rise to high thermal conductivity, and on the other hand, the aggregated BN layer can act as an “isolation belt” to effectively reduce the electronic transmission. Impressively, high-pressure is loaded and it has a more profound effect on the EMI shielding and thermal conductive properties of PPS composites with a segregated structure than that with homogenous mixed-structure composites. Intriguingly, the synergetic enhancement effect of BN and GNP on both thermal conductive performance and EMI shielding is stimulated by high pressure. Consequently, PPS composites with 30 wt% GNP and 10 wt% BN hot-pressed under 600 MPa present the most superior comprehensive properties with a high TC of 6.4 W/m/K, outstanding EMI SE as high as 70 dB, marvelous tribological performance, reliable thermal stability and satisfactory mechanical properties, which make it promising for application in miniaturized electronic devices in complex environments.

Dataset Information

Investigating the effects of adding hybrid nanoparticles, graphene and boron nitride nanosheets, to octadecane on its thermal properties.

Publications

Investigating the effects of adding hybrid nanoparticles, graphene and boron nitride nanosheets, to octadecane on its thermal properties.

Similar Datasets

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