Specific heat capacity enhancement studied in silica doped potassium nitrate via molecular dynamics simulation
Specific heat capacity enhancement studied in silica doped potassium nitrate via molecular dynamics simulation
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DOI：
10.1038/s41598-019-44132-3
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发表时间：
2019-05-20
影响因子：
4.6
通讯作者：
Hentschke, Reinhard
中科院分区：
文献类型：
--
作者：
Engelmann, Sven;Hentschke, Reinhard
熔盐作为太阳能电站的短期热能储存和传热流体具有重要的作用。不同的实验小组已经表明，与不含纳米颗粒的相同碱性盐相比，含有少量纳米颗粒的盐的某些混合物表现出更大的比热容。这种效应在技术上很有趣，在经济上也很重要。然而，到目前为止，它还没有被理解。我们的目的是通过模拟在分子水平上对上述纳米流体的比热容进行理论研究。在这里，我们提出了掺有二氧化硅纳米颗粒的液态硝酸钾的结果。我们从颗粒诱导的水动力强化和液体结构两方面讨论了观察到的比热的增加。本讨论的理论背景是结合微分谱密度的欧米茄空间分辨液体声子理论，计算了不同的系统有和没有纳米颗粒。
Molten salts serve an important purpose for short term heat energy storage and as heat transfer fluids in solar power plants. Different experimental groups have shown that certain mixtures containing salts doped with small amounts of nanoparticles exhibit much greater specific heat capacities compared to the same base salts without nanoparticles. This effect is technically interesting and economically important. Thus far, however, it is not understood. Our aim is the theoretical investigation of the specific heat capacity in the aforementioned nanofluids on the molecular level using simulations. Here we present results for liquid potassium nitrate doped with silica nanoparticles. We discuss the observed increase of the specific heat in terms of the particle induced hydrodynamic reinforcement and liquid structure. The theoretical background of this discussion is a omega-space resolved phonon theory of liquids in conjunction with differential spectral densities, computed for the different systems with and without nanoparticles.