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首页> 外文期刊>RSC Advances >Investigating the effects of adding hybrid nanoparticles, graphene and boron nitride nanosheets, to octadecane on its thermal properties
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Investigating the effects of adding hybrid nanoparticles, graphene and boron nitride nanosheets, to octadecane on its thermal properties

机译：研究将杂化纳米颗粒，石墨烯和氮化硼纳米片加入十八烷基的疗效

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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.
机译：八烷烷是一种烷烃，用于将热能存储在环境温度中作为相变材料。 进行了分子动力学研究以研究添加石墨烯和氮化硼纳米片对十八烷石蜡的热和结构性能的影响。 用于石蜡的PCFF力场，石蜡的AIREBO电位，氮化硼纳米层的捻线电位，以及纳米颗粒和N-烷烃之间的范德华相互作用的Lennard-Jones电位。 均衡和非分子动力学模拟用于研究纳米增强相变材料性能。 结果表明，与纯石蜡相比，纳米复合材料具有较低的密度变化，更多的热容量（300K），导热性更多，导热系数，和较低的扩散系数。 另外，纳米复合材料具有较高的熔点，状态和径向分布函数峰值更高的声子密度。

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