Low temperature heat capacity and thermodynamic functions of zirconium (IV) sulfate in the tetrahydrate and anhydrous forms

IF 2.2 3区 工程技术 Q3 CHEMISTRY, PHYSICAL
Journal of Chemical Thermodynamics Pub Date : 2026-05-01 Epub Date: 2026-01-24 DOI:10.1016/j.jct.2026.107631
Emma Esplin, Natalie Parkinson, Brian F. Woodfield
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引用次数: 0

Abstract

The heat capacities of alpha zirconium (IV) sulfate in its tetrahydrate and anhydrous forms were measured from 1.8 K to 300 K via relaxation calorimetry. The measured heat capacities have been fit to theoretical functions and compared to the available literature. Smoothed entropy and enthalpy increments from 0 K to 300 K were calculated from the fits of the data, and the absolute entropies for Zr(SO4)2 ∙ 4.02H2O and Zr(SO4)2 at 298.15 K are 298.80 J∙K−1 mol−1 and 170.57 J∙K−1 mol−1, respectively. The Gibbs energies of formation relative to the elements and to the oxides at 298.15 K were calculated using available enthalpy of formation data. For Zr(SO4)2 ∙ 4.02H2O and Zr(SO4)2, respectively, the Gibbs energies of formation at 298.15 K from the elements are −2990.6 kJ∙mol−1 and − 2006.7 kJ∙mol−1 and from the oxides are −270.2 kJ∙mol−1 and − 237.9 kJ∙mol−1.
硫酸锆在四水和无水状态下的低温热容量和热力学函数
在1.8 ~ 300 K范围内,用松弛量热法测定了四水和无水硫酸锆的热容。所测热容符合理论函数,并与现有文献进行了比较。根据数据拟合计算0 ~ 300 K的平滑熵和焓增量,得到Zr(SO4)2∙4.02H2O和Zr(SO4)2在298.15 K下的绝对熵分别为298.80 J∙K−1 mol−1和170.57 J∙K−1 mol−1。利用现有的生成焓数据计算了298.15 K时相对于元素和氧化物的吉布斯生成能。Zr(SO4)2∙4.02H2O和Zr(SO4)2在298.15 K时的吉布斯生成能分别为−2990.6 kJ∙mol−1和−2006.7 kJ∙mol−1,氧化物的吉布斯生成能分别为−270.2 kJ∙mol−1和−237.9 kJ∙mol−1。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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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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