Volume-Based Thermodynamics: A Prescription for Its Application and Usage in Approximation and Prediction of Thermodynamic Data

Thermodynamics, as both thermochemistry and thermophysics, is fundamental and central to the science of matterand, in particular, of condensed materials. While extensive data resources for thermodynamic quantities do exist, none of theexperimental, simulation, or theoretical studies can keep pace wi...

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Main Authors: Glasser, Leslie, Jenkins, H. D.
Format: Journal Article
Published: American Chemical Society 2011
Online Access:http://hdl.handle.net/20.500.11937/36301
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author Glasser, Leslie
Jenkins, H. D.
author_facet Glasser, Leslie
Jenkins, H. D.
author_sort Glasser, Leslie
building Curtin Institutional Repository
collection Online Access
description Thermodynamics, as both thermochemistry and thermophysics, is fundamental and central to the science of matterand, in particular, of condensed materials. While extensive data resources for thermodynamic quantities do exist, none of theexperimental, simulation, or theoretical studies can keep pace with the rate of synthesis of new materials or provide reliable data forhypothesized materials. Correlation methods can fill this gap. We describe a range of recently developed correlation methods thatrely on volume to predict thermodynamic quantities. In parallel with these, thermodynamic difference rules, which describe howproperties of materials (say, of a group of solvates) may be inferred from corresponding properties of materials that neighbor them incomposition, have recently been reviewed.
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spelling curtin-20.500.11937-363012017-09-13T15:51:39Z Volume-Based Thermodynamics: A Prescription for Its Application and Usage in Approximation and Prediction of Thermodynamic Data Glasser, Leslie Jenkins, H. D. Thermodynamics, as both thermochemistry and thermophysics, is fundamental and central to the science of matterand, in particular, of condensed materials. While extensive data resources for thermodynamic quantities do exist, none of theexperimental, simulation, or theoretical studies can keep pace with the rate of synthesis of new materials or provide reliable data forhypothesized materials. Correlation methods can fill this gap. We describe a range of recently developed correlation methods thatrely on volume to predict thermodynamic quantities. In parallel with these, thermodynamic difference rules, which describe howproperties of materials (say, of a group of solvates) may be inferred from corresponding properties of materials that neighbor them incomposition, have recently been reviewed. 2011 Journal Article http://hdl.handle.net/20.500.11937/36301 10.1021/je100683u American Chemical Society restricted
spellingShingle Glasser, Leslie
Jenkins, H. D.
Volume-Based Thermodynamics: A Prescription for Its Application and Usage in Approximation and Prediction of Thermodynamic Data
title Volume-Based Thermodynamics: A Prescription for Its Application and Usage in Approximation and Prediction of Thermodynamic Data
title_full Volume-Based Thermodynamics: A Prescription for Its Application and Usage in Approximation and Prediction of Thermodynamic Data
title_fullStr Volume-Based Thermodynamics: A Prescription for Its Application and Usage in Approximation and Prediction of Thermodynamic Data
title_full_unstemmed Volume-Based Thermodynamics: A Prescription for Its Application and Usage in Approximation and Prediction of Thermodynamic Data
title_short Volume-Based Thermodynamics: A Prescription for Its Application and Usage in Approximation and Prediction of Thermodynamic Data
title_sort volume-based thermodynamics: a prescription for its application and usage in approximation and prediction of thermodynamic data
url http://hdl.handle.net/20.500.11937/36301