Entropy scaling framework for transport properties using molecular-based equations of state
JOURNAL OF MOLECULAR LIQUIDS(2024)
摘要
Modeling transport properties is important for many applications. In this work, an entropy scaling framework for modeling transport properties using molecularbased equations of state (EOS) is presented. It can be applied for modeling the viscosity, thermal conductivity, and self -diffusion coefficients. The framework is formulated in a general way such that it can be coupled with various EOS. It is demonstrated that the model, when coupled to molecular -based EOS, provides not only good descriptions of existing data but also reasonable predictions in a wide range of states covering liquid, gaseous, supercritical, and meta -stable regions. Moreover, the model can be used for reliably predicting transport properties of mixtures. The universal parameters of the model were fitted to computer experiment data of the Lennard-Jones fluid. This procedure provides inherently a robust form of the basic scaling function. Thereby, only few data points are required for the determination of the component -specific model parameters. The applicability of the developed framework is demonstrated for model fluids as well as for a wide variety of real substances including non -polar, polar, and associating pure fluids and mixtures.
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