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Accurate quantum-corrected cubic equations of state for helium, neon, hydrogen, deuterium and their mixtures

Abstract : Cubic equations of state have thus far yielded poor predictions of the thermodynamic properties of quantum fluids such as hydrogen, helium and deuterium at low temperatures. Furthermore, the shape of the optimal α functions of helium and hydrogen have been shown to not decay monotonically as for other fluids. In this work, we derive temperature-dependent quantum corrections for the covolume parameter of cubic equations of state by mapping them onto the excluded volumes predicted by quantum-corrected Mie potentials. Subsequent regression of the Twu α function recovers a near classical behavior with a monotonic decay for most of the temperature range. The quantum corrections result in a significantly better accuracy, especially for caloric properties. While the average deviation of the isochoric heat capacity of liquid hydrogen at saturation exceeds 80% with the present state-of-the-art, the average deviation is 4% with quantum corrections. Average deviations for the saturation pressure are well below 1% for all four fluids. Using Péneloux volume shifts gives average errors in saturation densities that are below 2% for helium and about 1% for hydrogen, deuterium and neon. Parameters are presented for two cubic equations of state: Peng-Robinson and Soave-Redlich-Kwong. The quantum-corrected cubic equations of state are also able to reproduce the vapor-liquid equilibrium of binary mixtures of quantum fluids, and they are the first cubic equations of state that are able to accurately model the vapor-liquid equilibrium of the helium-neon mixture. Similar to the quantum-corrected Mie potentials that were used to develop the covolume corrections, an interaction parameter for the covolume is needed to represent the helium-hydrogen mixture to a high accuracy. The quantum-corrected cubic equation of state paves the way for technological applications of quantum fluids that require models with both high accuracy and computational speed.
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Contributor : Jean-Noël JAUBERT Connect in order to contact the contributor
Submitted on : Saturday, September 12, 2020 - 4:30:49 PM
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Ailo Aasen, Morten Hammer, Silvia Lasala, Jean-Noël Jaubert, Øivind Wilhelmsen. Accurate quantum-corrected cubic equations of state for helium, neon, hydrogen, deuterium and their mixtures. Fluid Phase Equilibria, 2020, 524, pp.112790. ⟨10.1016/j.fluid.2020.112790⟩. ⟨hal-02937126⟩



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