热力学的单原子附加值 III:离子固体的形成熵和吉布斯能 - 水合物和无水物数据及校正

Leslie Glasser
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引用次数: 0

摘要

在本系列最初的两本出版物中,我们为无机固体的每种化学元素建立了预测性的原子和热化学量。由于化学元素是一个有限的集合,这些数据涵盖了目前可获得的参考数据的整个无机固体领域。我们在此引入了一个增加了水合物的数据集,并将我们的分析分为水合物和无水物。原子和项更好地独立于这些不同的无机组,从而改进了对相应预测热化学量的估计。在本文中,我们提供了最新的形成反应熵和以前未发表的吉布斯能。
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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Additive single atom values for thermodynamics III: Formation entropies and Gibbs energies for ionic solids – Hydrate and anhydrate data, and a correction

In the initial two publications in this series we established predictive additive Atom Sum thermochemical quantities for inorganic solids for each of the chemical elements. With the chemical elements being a finite set, these data cover the whole of the domain of inorganic solids so far as reference data is currently available.

We here introduce a dataset augmented in hydrates, and divide our analysis between the hydrates and anhydrates. The Atom Sum terms are better directed independently to these disparate inorganic groups thus providing improved estimates of the corresponding predicted thermochemical quantities. In this paper we provide both updated formation reaction entropies and previously unpublished Gibbs energies.

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