Lee Kyoung O, Williams Wesley C, McFarlane Joanna, Kropaczek David, de Wet Dane
Oak Ridge National Laboratory, 1 Bethel Valley Road, Oak Ridge, TN, 37831-6368, USA.
Sci Rep. 2024 Jun 4;14(1):12847. doi: 10.1038/s41598-024-60006-9.
Henry's law constant, which describes the proportionality of dissolved gas to partial pressure of free gas in liquid-gas equilibrium systems, can also be applied to mass transport applications. In this work, we investigated an approach for determining the solubility of noble gases in a molten salt liquid utilizing the equilibrium concept of Henry's gas constant. Henry's gas constant is described as a mathematical function dependent on the van der Waals radius of the noble gas and the temperature of the molten salt. The alteration in Gibbs free energy encompasses contributions from both surface and volume energies. Enthalpy and entropy are deduced from these surface and volume energies in the Gibbs free energy formulation. A comparative analysis was conducted between the conventional method and our proposed model. Moreover, useful chemical properties can be determined from examination of surface and volume energies. Our findings provide an accurate and general theory of Gibbs free energy that can be validated experimentally based on the model proposed herein. This work unifies the prediction of Henry gas constant and subsequently the entropy and enthalpy calculation for noble gases in a molten salt solution to a single functional form using van der Waals radius of the gas and temperature of the system. This functional form is then used to perform a multiple regression method to find two parameters corresponding to the surface energy and volume energy. These two parameters are consistent between all combinations of noble gas and molten salt.
亨利定律常数描述了液-气平衡系统中溶解气体与自由气体分压的比例关系,也可应用于传质应用。在这项工作中,我们利用亨利气体常数的平衡概念,研究了一种测定稀有气体在熔盐液体中溶解度的方法。亨利气体常数被描述为一个数学函数,它取决于稀有气体的范德华半径和熔盐的温度。吉布斯自由能的变化包括表面能和体积能的贡献。在吉布斯自由能公式中,焓和熵是由这些表面能和体积能推导出来的。对传统方法和我们提出的模型进行了对比分析。此外,通过检查表面能和体积能可以确定有用的化学性质。我们的研究结果提供了一个准确而通用的吉布斯自由能理论,该理论可以根据本文提出的模型进行实验验证。这项工作将亨利气体常数的预测以及随后熔盐溶液中稀有气体的熵和焓的计算统一为一种单一的函数形式,该函数形式使用气体的范德华半径和系统温度。然后使用这种函数形式进行多元回归方法,以找到对应于表面能和体积能的两个参数。这两个参数在稀有气体和熔盐的所有组合中都是一致的。