{"title":"Statistical Thermodynamic Analysis of the Effect of Chemical Composition on Changes in the Melting Temperatures of Alkali Metal Halides","authors":"A. G. Davydov","doi":"10.1134/s0036024424701322","DOIUrl":null,"url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>An interpretation is proposed for the dependence of the melting temperatures of an entire subclass of alkali metal halides on the chemical composition, based on an analysis of changes in different contributions to the internal energy of salts in the molten and crystalline phases with variation in the sum of the radii of their cations and anions. The expression for calculating the energy of liquid salt melts includes the contribution from charge–dipole interactions between ions, which is considered in a work based on thermodynamic perturbation theory with a basis in the form of a model of charged hard spheres. The Born–Mayer formula is used for the energy of the crystalline phase in the electrostatic part, while Debye’s formula is employed to consider the contribution from vibrations. An explanation is given for the lower values of the reduced melting temperatures of lithium and sodium halides, relative to other salts. It is shown that deviations of the reduced melting temperatures of lithium and sodium halides depending on the sum of ionic radii can be explained by Coulomb and translational contributions to the energy in the molten state, along with Madelung and Born contributions in the crystalline phase.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":null,"pages":null},"PeriodicalIF":0.7000,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Russian Journal of Physical Chemistry A","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1134/s0036024424701322","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
An interpretation is proposed for the dependence of the melting temperatures of an entire subclass of alkali metal halides on the chemical composition, based on an analysis of changes in different contributions to the internal energy of salts in the molten and crystalline phases with variation in the sum of the radii of their cations and anions. The expression for calculating the energy of liquid salt melts includes the contribution from charge–dipole interactions between ions, which is considered in a work based on thermodynamic perturbation theory with a basis in the form of a model of charged hard spheres. The Born–Mayer formula is used for the energy of the crystalline phase in the electrostatic part, while Debye’s formula is employed to consider the contribution from vibrations. An explanation is given for the lower values of the reduced melting temperatures of lithium and sodium halides, relative to other salts. It is shown that deviations of the reduced melting temperatures of lithium and sodium halides depending on the sum of ionic radii can be explained by Coulomb and translational contributions to the energy in the molten state, along with Madelung and Born contributions in the crystalline phase.
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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