Correlation of solute-solute interaction enthalpies in dimethylformamide by group additivity |
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| Authors: | Michael Bloemendal Gus Somsen |
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| Affiliation: | (1) Department of Chemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands;(2) Present address: Department of Chemistry, The Hebrew University of Jerusalem, 91904 Jerusalem, Israel |
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| Abstract: | The Savage and Wood group additivity method has been applied to enthalpic pair interaction coefficients of more than 30 solutes dissolved in N,N-dimethylformamide. The results are not satisfactory. Better results are obtained by using a method which accounts for the differences in the numbers of molecular groups between solute and solvent molecules. With this excess group additivity method reasonable correlations are obtained even for solutes as large as dipeptide amides. |
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| Keywords: | solute-solute interaction enthalpic pair interaction coefficients group contributions group additivity excess groups additivity dipeptide amides dimethylformamide |
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