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硬球流体中的输运系数:热力学描述与动力学描述

Transport coefficients in hard-sphere fluids: thermodynamic versus kinetic descriptions

Miguel Hoyuelos

arXiv 2608.06143首次发表:更新:

AI 中文总结

本文建立硬球流体输运系数的热力学理论,推导热导率等输运系数的简洁表达式,其预测结果可定量复现模拟数据且优于Enskog动力学理论,证明输运系数可由纯热力学框架准确描述。

AI 中文摘要

本文基于Onsager矩阵的一般表达式,建立了硬球流体输运系数的热力学理论。该理论可预测输运系数σ与其稀气体值σ_id的比值,此比值仅依赖于平衡热力学性质,因此可直接由状态方程计算得到。本文针对热导率、黏度和自扩散系数推导了简洁表达式,这些表达式可定量复现几乎整个流体区域的模拟数据;对于自扩散系数,其预测结果显著优于Enskog动力学理论的预测。研究结果表明,输运系数可在纯热力学框架内得到准确描述。

英文摘要

A thermodynamic theory for transport coefficients in hard-sphere fluids is developed from a general expression for the Onsager matrix. The theory predicts the ratio $σ/σ_{\rm id}$, where $σ$ is a transport coefficient and $σ_{\rm id}$ denotes its dilute-gas value. This ratio depends exclusively on equilibrium thermodynamic properties and can therefore be computed directly from the equation of state. Compact expressions are obtained for the thermal conductivity, viscosity, and self-diffusion coefficient. These expressions quantitatively reproduce simulation data over almost the entire fluid range and, in the case of self-diffusion, significantly improve upon the predictions of Enskog kinetic theory. The results demonstrate that transport coefficients can be accurately described within a purely thermodynamic framework.

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