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  Home > JCE Print > Journal of Chemical Education > Issues > 2007  > March  >
Research: Science and Education
Consistent Application of the Boltzmann Distribution to Residual Entropy in Crystals
Evguenii I. Kozliak
Department of Chemistry, University of North Dakota, Grand Forks, ND 58202-9024
Cover
March 2007
Vol. 84 No. 3
p. 493
Abstract
Four different approaches to residual entropy (the entropy remaining in crystals comprised of nonsymmetric molecules like CO, N2O, FClO3, and H2O as temperatures approach 0 K) are analyzed and a new method of its calculation is developed based on application of the Boltzmann distribution. The inherent connection of all four methods (based on combinatorics, thermodynamics, mixing, or statistical mechanics–probabilities) to one another is shown. They yield the same numerical value of residual entropy when the “frozen-in” energy difference between the possible intermolecular interactions for different molecular arrangements (configurations) is negligible as compared to kBTfusion.
More Information
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Citation
Kozliak, Evguenii I. J. Chem. Educ. 2007 84 493.
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Keywords
Physical Chemistry; Statistical Mechanics; Textbooks / Reference Books; Thermodynamics; Upper-Division Undergraduate
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History
Created:
Last Updated:
2/1/2007
2/2/2007
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