论文标题
有吸引力的颗粒间相互作用对二元流体中质量和热量之间跨传输系数的影响
Effects of attractive inter-particle interaction on cross-transport coefficient between mass and heat in binary fluids
论文作者
论文摘要
在某些二元流体中，在温度梯度下观察到质量传输。这种现象称为“恐惧效应”。在这项研究中，我们讨论了颗粒间相互作用的影响。我们考虑了具有质量对比度的等摩尔二进制Lennard-Jones流体，而相互作用对于具有各种截止长度的所有粒子对通常是常见的。我们在平衡下对此类流体进行了分子动力学模拟，以获得质量和热量通量之间的跨传输系数L1Q。模拟表明该数量在很大程度上取决于截止长度。此外，我们将热通量分解为动力学和潜在贡献，并计算了分解通量与质量通量之间的互相关。结果表明潜在的贡献主导着L1q，这表明粒子间相互作用改变了soret系数。
In some binary fluids, mass transport is observed under a temperature gradient. This phenomenon is called the Soret effect. In this study, we discuss the influence of inter-particle interaction. We considered equimolar binary Lennard-Jones fluids with a mass contrast, whereas the interaction was common for all the particle pairs with various cut-off lengths. We performed molecular dynamics simulations of such fluids under equilibrium to obtain the cross-transport coefficients L1q between the fluxes of mass and heat. The simulation revealed that this quantity strongly depends on the cut-off length. Further, we decomposed the heat flux into kinetic and potential contributions and calculated the cross-correlations between decomposed fluxes and the mass flux. The result indicates that the potential contribution dominates L1q, implying that the Soret coefficient is altered by the inter-particle interaction.
