探索分子流体的剩余熵和粘度与模型势之间的联系
Probing the link between residual entropy and viscosity of molecular fluids and model potentials
摘要：
这项工作调查的基础上广泛的，高精度的实验和模拟数据的残余熵和粘度之间的联系。这一联系最初是由Rosenfeld在1977年提出的，并且表明，对于广泛的分子流体，这种标度导致剩余熵和比化粘度之间近似单变量的关系（氩气、甲烷、CO2、SF6、制冷剂R-134 a（1，1，1，2-四氟乙烷）、制冷剂R-125（五氟乙烷）、甲醇和水）以及一系列模型势（硬球、逆幂、Lennard-Jones和Weeks-Chandler-Andersen）。虽然罗森菲尔德提出的“通用”相关性被证明是远离普遍的，当使用适当的密度标度的分子流体，非缔合分子流体的粘度可以映射到模型的潜力。该映射产生与实验上可测量的液体体积值的立方根成比例的长度标度。
英文摘要：
This work investigates the link between residual entropy and viscosity based on wide-ranging, highly accurate experimental and simulation data. This link was originally postulated by Rosenfeld in 1977, and it is shown that this scaling results in an approximately monovariate relationship between residual entropy and reduced viscosity for a wide range of molecular fluids (argon, methane, CO2, SF6, refrigerant R-134a (1,1,1,2-tetrafluoroethane), refrigerant R-125 (pentafluoroethane), methanol, and water), and a range of model potentials (hard sphere, inverse power, Lennard-Jones, and Weeks-Chandler-Andersen). While the proposed "universal" correlation of Rosenfeld is shown to be far from universal, when used with the appropriate density scaling for molecular fluids, the viscosity of non-associating molecular fluids can be mapped onto the model potentials. This mapping results in a length scale that is proportional to the cube root of experimentally measureable liquid volume values.
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