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Molecular dynamics study of the thermal conductivity in nanofluids
Chemical Physics ( IF 2.3 ) Pub Date : 2018-09-04 , DOI: 10.1016/j.chemphys.2018.09.001
I. Topal , J. Servantie

We evaluate the thermal conductivity of a model nanofluid at various volume fractions of nanoparticles with equilibrium (EMD) and non-equilibrium (NEMD) molecular dynamics simulations. The Green-Kubo formalism is used for the EMD simulations while a net heat flux is imposed on the system for the NEMD simulations. The nanoparticle-nanoparticle, fluid-fluid and fluid-nanoparticle interactions are all taken as Lennard-Jones potentials. An empirical parameter is added to the attractive part of the potential to control the hydrophilicity of the nanoparticles, hence controlling how well dispersed are the nanoparticles in the base fluid. The results show that the aggregation of the nanoparticles does not have a measurable effect on the conductivity of the nanofluid. Nanofluids with volume fractions of 2% and 3% show an enhanced conductivity with respect to the bulk fluid. Surprisingly, nanofluids with higher volume fractions did not show any enhancement of the conductivity.



中文翻译:

纳米流体导热系数的分子动力学研究

我们用平衡(EMD)和非平衡(NEMD)分子动力学模拟评估了纳米流体在不同体积分数下的模型纳米流体的热导率。Green-Kubo形式主义用于EMD仿真,而净热通量施加在系统上,用于NEMD仿真。纳米颗粒-纳米颗粒,流体-流体和流体-纳米颗粒的相互作用都被视为伦纳德-琼斯势能。将经验参数添加到潜在的吸引力部分,以控制纳米粒子的亲水性,从而控制纳米粒子在基础流体中的分散程度。结果表明,纳米颗粒的聚集对纳米流体的电导率没有可测量的影响。纳米流体的体积分数为2个3相对于本体流体显示出增强的电导率。出人意料的是,具有较高体积分数的纳米流体没有显示出电导率的任何增强。

更新日期:2018-09-05
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