Empirical correlations for second virial coefficients of associated and quantum fluids covering a wide temperature range
Empirical correlations for second virial coefficients of associated and quantum fluids covering a wide temperature range
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覆盖较宽温度范围的相关流体和量子流体的第二维里系数的经验相关性
DOI：
10.1016/j.fluid.2021.113133
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发表时间：
2021-11
影响因子：
2.6
通讯作者：
Yuanyuan Duan
中科院分区：
文献类型：
--
作者：
Liu Xu;Hangtao Liu;Zhen Yang;Yuanyuan Duan
二次维里系数是表征两分子间相互作用的一种方法，在计算实际流体缺陷的影响时具有重要的价值。在相应态原理的基础上，将前人提出的二次维里系数关联推广到关联流体和量子流体。对氢键的影响进行了仔细的分析，新的相关极性项对醇、胺、氨和水给出了物理上可靠的结果。以约简德布罗意波长为特征参数，建立了一种新的量子流体对应态处理方法。新量子项适用于除氖外的所有量子流体，当还原温度高于0.33时，与从头算和实验数据吻合较好。氖的二次维里系数可以用简单的球项公式计算。为满足高精度计算的需要，本文还提出了He-3、He-4、氖和水的二次维里系数的具体关联关系。结合之前对非极性和非相关极性流体的相关性，本文完成了一个适用于宽温度范围内大多数常见流体的二次维里系数模型。
Abstract Characterizing interactions between two molecules, the second virial coefficient is of great value in calculating the effect of the real-fluid imperfection. The corresponding-state principle followed, the second-virial-coefficient correlation proposed in our previous work was extended to associated and quantum fluids. The effects of hydrogen bonds were carefully analyzed and the new associated polar terms gave physically reliable results for alcohols, amines, ammonia and water. Taking the reduced de Broglie wavelength as the characteristic parameter, a new corresponding-state treatment for quantum fluids was established. The new quantum term was applicable for all quantum fluids except for Neon and was in good agreement with the ab initio and experimental data when the reduced temperature is higher than 0.33. The second virial coefficients of Neon can be calculated by the simple spherical term formula. For the requirement of high-precision calculation, this paper also proposed the specific correlations of the second virial coefficients for He-3, He-4, Neon and water. Together with previous correlations for nonpolar and non-associated polar fluids, a second-virial-coefficient model for most common fluids in a wide temperature range was completed in this work.
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影响因子：
2.1
作者：
J. A. Sullivan;R. Sonntag
通讯作者：
J. A. Sullivan;R. Sonntag
影响因子：
1.1
作者：
C. Lee;J. O’Connell;C. Myrat;J. Prausnitz
通讯作者：
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影响因子：
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作者：
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通讯作者：
C. Black
影响因子：
4.4
作者：
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通讯作者：
J. A. Cameron;G. Seidel
影响因子：
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作者：
T. L. Cottrell;R. Hamilton
通讯作者：
T. L. Cottrell;R. Hamilton