Thermal stability of ionic solids: A melting points survey

While predictive correlations of the melting points of organic solids are well-established and reliable, the melting points of ionic solids are less understood. We provide a comprehensive survey of the related literature for ionic solids which shows that the primary factors to consider are the ambie...

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Main Author: Glasser, Leslie
Format: Journal Article
Published: 2022
Online Access:http://hdl.handle.net/20.500.11937/92263
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author Glasser, Leslie
author_facet Glasser, Leslie
author_sort Glasser, Leslie
building Curtin Institutional Repository
collection Online Access
description While predictive correlations of the melting points of organic solids are well-established and reliable, the melting points of ionic solids are less understood. We provide a comprehensive survey of the related literature for ionic solids which shows that the primary factors to consider are the ambient temperature values of the formation enthalpies and the distances among the ions as enshrined in their crystal structures. These conclusions from standard thermodynamic analyses are supported by an independent current machine-learning program. This result contrasts with the common belief that lattice energies are a leading factor in melting. This basic idea is confounded by the irrelevant (but generally overwhelming) inclusion of the formation energy of gaseous ions in the evaluation of lattice energies through thermochemical cycles. The melting points of simple metal halides are correlated with their formation enthalpies per halide ion and distances among ions as determined by their crystal structures rather than their lattice energies. As the formula units of ionic solids increase in chemical and structural complexity the relations also become more complex.
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spelling curtin-20.500.11937-922632023-06-15T02:43:58Z Thermal stability of ionic solids: A melting points survey Glasser, Leslie While predictive correlations of the melting points of organic solids are well-established and reliable, the melting points of ionic solids are less understood. We provide a comprehensive survey of the related literature for ionic solids which shows that the primary factors to consider are the ambient temperature values of the formation enthalpies and the distances among the ions as enshrined in their crystal structures. These conclusions from standard thermodynamic analyses are supported by an independent current machine-learning program. This result contrasts with the common belief that lattice energies are a leading factor in melting. This basic idea is confounded by the irrelevant (but generally overwhelming) inclusion of the formation energy of gaseous ions in the evaluation of lattice energies through thermochemical cycles. The melting points of simple metal halides are correlated with their formation enthalpies per halide ion and distances among ions as determined by their crystal structures rather than their lattice energies. As the formula units of ionic solids increase in chemical and structural complexity the relations also become more complex. 2022 Journal Article http://hdl.handle.net/20.500.11937/92263 10.1016/j.ctta.2022.100092 http://creativecommons.org/licenses/by-nc-nd/4.0/ fulltext
spellingShingle Glasser, Leslie
Thermal stability of ionic solids: A melting points survey
title Thermal stability of ionic solids: A melting points survey
title_full Thermal stability of ionic solids: A melting points survey
title_fullStr Thermal stability of ionic solids: A melting points survey
title_full_unstemmed Thermal stability of ionic solids: A melting points survey
title_short Thermal stability of ionic solids: A melting points survey
title_sort thermal stability of ionic solids: a melting points survey
url http://hdl.handle.net/20.500.11937/92263