UNSPECIFIED (2005) Predictive thermodynamics for condensed phases. CHEMICAL SOCIETY REVIEWS, 34 (10). pp. 866-874. ISSN 0306-0012

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Abstract

Thermodynamic information is central to assessment of the stability and reactivity of materials. However, because of both the demanding nature of experimental thermodynamics and the virtually unlimited number of conceivable compounds, experimental data is often unavailable or, for hypothetical materials, necessarily impossible to obtain. We describe simple procedures for thermodynamic prediction for condensed phases, both ionic and organic covalent, principally via formula unit volumes ( or density); our volume-based approach (VBT) provides a new thermodynamic tool for such assessment. These methods, being independent of detailed knowledge of crystal structures, are applicable to liquids and amorphous materials as well as to crystalline solids. Examples of their use are provided.

Item Type:	Journal Item
Subjects:	Q Science > QD Chemistry
Journal or Publication Title:	CHEMICAL SOCIETY REVIEWS
Publisher:	ROYAL SOC CHEMISTRY
ISSN:	0306-0012
Date:	2005
Volume:	34
Number:	10
Number of Pages:	9
Page Range:	pp. 866-874
Identification Number:	10.1039/b501741f
Publication Status:	Published
URI:	http://wrap.warwick.ac.uk/id/eprint/6604

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