Prediction of Viscosity of Liquid Alkali Metals Using an Improved Mean Spherical Approximation

IF 0.7 4区 化学 Q4 CHEMISTRY, PHYSICAL Russian Journal of Physical Chemistry A Pub Date : 2024-10-28 DOI:10.1134/S0036024424701802
Hossein Nikoofard,  Mohsen Sargolzaei
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Abstract

In this work, the shear viscosity (η) of the liquid alkali metals including Rb, Cs, and Na is determined based on the Stokes–Einstein’s equation by an improved mean spherical approximation theory using an effective square-well potential relation for intermolecular interaction in a wide range of densities and temperatures. In this way, the PVT data and the linear isothermal regularity equation of state are used to determine the radial distribution function at a contact point at any thermodynamic state. The results obtained showed that the calculated values for viscosity increased strongly with increasing density and increased slightly with temperature. A reasonable agreement has been found between the calculated values of η and their available experimental data. Furthermore, a correlation relation between the effective molecular diameter and the temperature was found and the order of magnitude and sign of the coefficients were determined.

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利用改进的平均球形近似法预测液态碱金属的粘度
在这项工作中,根据斯托克斯-爱因斯坦方程,通过改进的平均球面近似理论,利用分子间相互作用的有效方井电势关系,在广泛的密度和温度范围内确定了包括铷、铯和鈉在内的液态碱金属的剪切粘度(η)。这样,就可以利用 PVT 数据和线性等温正则状态方程来确定任何热力学状态下接触点的径向分布函数。所得结果表明,粘度的计算值随着密度的增加而强烈增加,并随着温度的升高而略有增加。η的计算值与现有实验数据之间存在合理的一致性。此外,还发现了有效分子直径与温度之间的相关关系,并确定了系数的大小顺序和符号。
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来源期刊
CiteScore
1.20
自引率
14.30%
发文量
376
审稿时长
5.1 months
期刊介绍: Russian Journal of Physical Chemistry A. Focus on Chemistry (Zhurnal Fizicheskoi Khimii), founded in 1930, offers a comprehensive review of theoretical and experimental research from the Russian Academy of Sciences, leading research and academic centers from Russia and from all over the world. Articles are devoted to chemical thermodynamics and thermochemistry, biophysical chemistry, photochemistry and magnetochemistry, materials structure, quantum chemistry, physical chemistry of nanomaterials and solutions, surface phenomena and adsorption, and methods and techniques of physicochemical studies.
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