计算和预测高温下非极性、极性和量子流体热力学性质的新方法

IF 2.2 3区 工程技术 Q3 CHEMISTRY, PHYSICAL
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引用次数: 0

摘要

作为唯一已知的具有坚实理论基础的状态方程(EOS),当在第二或第三维里系数之后截断时,维里尔状态方程(VEOS)可以可靠地描述中低密度的真气体不完善性。在我们之前的工作中,根据相应的状态原理,我们提出了广义的第二和第三维里叶尔系数模型,适用于宽温度范围内的非极性流体、极性流体和量子流体。在这项工作中,结合理想热容量,对截断式 VEOS 的高温性能进行了评估,得出的热力学性质包括声速、等压热容量、熵和内能。有效 "的标准被定义为与多参数 EOSs 1%的相对偏差,这项工作介绍了截断 VEOSs 在推导热力学特性方面的有效密度和压力区域。截断 VEOS 在临界温度以下具有饱和密度的有效密度,在临界温度以上具有趋于恒定的有效密度。选择 SRK EOS 作为广义 EOS 的代表。通过与 SRK EOS 的比较,截断 VEOS 在稳定性和通用性方面表现出优势。对于非极性、极性和量子流体,截断式 VEOS 可以在高温下提供可靠的外推,适用压力范围广。建议将截断 VEOS 用于推导热力学性质的适用密度区域作为 pvT 性质的有效密度区域。用于推导热力学性质的截断 VEOS 的适用温度范围由可用理想热容数据的温度范围决定。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

A new method to calculate and predict thermodynamic properties of nonpolar, polar and quantum fluids at high temperatures

A new method to calculate and predict thermodynamic properties of nonpolar, polar and quantum fluids at high temperatures

As the only known equation of state (EOS) with the rigid theoretical foundation, the virial equation of state (VEOS) can be reliable enough to describe real-gas imperfection for low-to-moderate densities when truncated after the second or third virial coefficient. In our previous work, on the basis of the corresponding state principle, the generalized second and third virial coefficient models were proposed for nonpolar, polar and quantum fluids in a wide temperature range. In this work, combined with the ideal heat capacities, the high-temperature performance of the truncated VEOSs was evaluated on derived thermodynamic properties including speed of sound, isobaric heat capacity, entropy and internal energy. The criterion for being “valid” is defined as 1% relative deviation from the multiparameter EOSs, and this work presents the valid density and pressure regions of the truncated VEOSs for the derived thermodynamic properties. The truncated VEOSs have valid densities of the saturated densities below the critical temperatures, and have valid densities that tend to be constant beyond the critical temperatures. The SRK EOS is chosen as the representative of generalized EOSs. By the comparisons with the SRK EOS, the truncated VEOSs show the advantage in stability and universality. The truncated VEOSs can give a reliable extrapolation with wide applicable pressure ranges at high temperatures for nonpolar, polar and quantum fluids. The applicable density regions of the truncated VEOSs for derived thermodynamic properties are recommended to be the valid density regions of the pvT property. The applicable temperature ranges of the truncated VEOSs for derived thermodynamic properties are determined by the temperature ranges of the available ideal heat capacity data.

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来源期刊
Journal of Chemical Thermodynamics
Journal of Chemical Thermodynamics 工程技术-热力学
CiteScore
5.60
自引率
15.40%
发文量
199
审稿时长
79 days
期刊介绍: The Journal of Chemical Thermodynamics exists primarily for dissemination of significant new knowledge in experimental equilibrium thermodynamics and transport properties of chemical systems. The defining attributes of The Journal are the quality and relevance of the papers published. The Journal publishes work relating to gases, liquids, solids, polymers, mixtures, solutions and interfaces. Studies on systems with variability, such as biological or bio-based materials, gas hydrates, among others, will also be considered provided these are well characterized and reproducible where possible. Experimental methods should be described in sufficient detail to allow critical assessment of the accuracy claimed. Authors are encouraged to provide physical or chemical interpretations of the results. Articles can contain modelling sections providing representations of data or molecular insights into the properties or transformations studied. Theoretical papers on chemical thermodynamics using molecular theory or modelling are also considered. The Journal welcomes review articles in the field of chemical thermodynamics but prospective authors should first consult one of the Editors concerning the suitability of the proposed review. Contributions of a routine nature or reporting on uncharacterised materials are not accepted.
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