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三元混合物的框架不变热扩散和索雷特系数的定义。

Definition of frame-invariant thermodiffusion and Soret coefficients for ternary mixtures.

作者信息

Ortiz de Zárate José M

机构信息

Facultad de Ciencias Físicas, Universidad Complutense, Plaza de las Ciencias 1, 28040, Madrid, Spain.

出版信息

Eur Phys J E Soft Matter. 2019 Apr 5;42(4):43. doi: 10.1140/epje/i2019-11803-2.

DOI:10.1140/epje/i2019-11803-2
PMID:30953207
Abstract

The definitions of thermodiffusion and Soret coefficients for a binary mixture include a concentration prefactor x(1 - x), when mole fraction x is used, or w(1 - w), when mass fraction w is used. In this paper the physical reasons behind this choice are reviewed, emphasizing that the use of these prefactors makes the thermodiffusion and the Soret coefficients invariant upon changing in the concentration representation, using either mole fraction or mass faction. Then, it is shown how this invariance property can be extended to ternary mixtures by using appropriate concentration prefactors in matrix form. The paper is completed with some considerations about alternative definitions of thermodiffusion coefficients, binary limits of the concentration triangle, selection of the dependent concentration in a ternary mixture, use of molar concentrations and, finally, extension to multi-component mixtures.

摘要

对于二元混合物,热扩散系数和索雷特系数的定义中包含一个浓度预因子:当使用摩尔分数(x)时为(x(1 - x)),当使用质量分数(w)时为(w(1 - w))。本文回顾了做出这种选择背后的物理原因,强调使用这些预因子使得热扩散系数和索雷特系数在浓度表示形式(使用摩尔分数或质量分数)发生变化时保持不变。然后,展示了如何通过使用矩阵形式的适当浓度预因子将这种不变性扩展到三元混合物。本文最后对热扩散系数的替代定义、浓度三角形的二元极限、三元混合物中相关浓度的选择、摩尔浓度的使用以及最终扩展到多组分混合物进行了一些讨论。

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本文引用的文献

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Thermodiffusion in multicomponent -alkane mixtures.多组分烷烃混合物中的热扩散
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Non-equilibrium molecular dynamics simulations of the transient Ludwig-Soret effect in a binary Lennard-Jones/spline mixture.二元 Lennard-Jones/样条混合物中瞬态路德维希-索雷特效应的非平衡分子动力学模拟。
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The NEUF-DIX space project - Non-EquilibriUm Fluctuations during DIffusion in compleX liquids.NEUF-DIX空间项目——复杂液体扩散过程中的非平衡涨落
Eur Phys J E Soft Matter. 2016 Dec;39(12):119. doi: 10.1140/epje/i2016-16119-1. Epub 2016 Dec 12.
7
Soret, thermodiffusion, and mean diffusion coefficients of the ternary mixture n-dodecane+isobutylbenzene+1,2,3,4-tetrahydronaphthalene.三元混合物正十二烷+异丁基苯+1,2,3,4-四氢萘的索雷特效应、热扩散及平均扩散系数
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