Additive single atom values for thermodynamics III: Formation entropies and Gibbs energies for ionic solids – Hydrate and anhydrate data, and a correction

Abstract

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 In this paper we provide both updated formation reaction entropies and previously unpublished Gibbs energies.

Keywords

• Thermochemistry
• Hydrates
• Anhydrates
• Single atoms
• Additive terms