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- W1656713705 abstract "A reanalysis of classical partition functions for vapor molecules leads to a modified equation for the prediction of relative values of nonelectronic entropies in terms of atomic masses and size parameters. Correspondence of predictions with tabulated data on nonhydrogenic molecules of up to seven atoms is very good. Theoretical integrals for diatomic and triatomic molecules have been evaluated for a simple ionic potential; the results are in good agreement with measured entropies of ionic and nonionic molecules indicating that the theory permits one to predict absolute values of entropies for any type of molecule. Differences between bent and linear triatomic molecules appear to be related more to bond character than to molecular geometry. The application of our equations to alkali halide liquids requires a correction term which is related to the observed penetration of ions into the coordination shell of like charged ions. The semi-empirical use of the cube root of the molar volume as an effective size parameter leads to very good correlations of the entropies of all the alkali halides." @default.
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- W1656713705 date "1984-04-01" @default.
- W1656713705 modified "2023-10-17" @default.
- W1656713705 title "Predictions of entropies of molecules and liquids" @default.
- W1656713705 hasPublicationYear "1984" @default.
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