Equations for the Partition of Neutral Molecules, Ions and Ionic Species from Water to Water–Methanol Mixtures

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• 作者：Michael H. Abraham ; William E. Acree Jr.
• 刊名：Journal of Solution Chemistry
• 出版年：2016
• 出版时间：June 2016
• 年：2016
• 卷：45
• 期：6
• 页码：861-874
• 全文大小：432 KB
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Chemistry<br>Physical Chemistry<br>Industrial Chemistry and Chemical Engineering<br>Geochemistry<br>Oceanography<br>Inorganic Chemistry<br>Condensed Matter<br>
• 出版者：Springer Netherlands
• ISSN：1572-8927
• 卷排序：45

文摘

We have constructed equations for the transfer of neutral molecules, ions and ionic species from water to water–methanol mixtures across the entire composition range, in terms of water to solvent partition coefficients, as logb>10b>P. We have obtained the required partition coefficients for neutral molecules from solubilities in water and water–methanol mixtures, and partition coefficients for ions from literature data. Logb>10b>P values for ionic species, that are deprotonated acid anions and protonated base cations, were calculated from known data on pKb>ab> values in water and water–methanol mixtures, and we list these new partition coefficients. We have also used the pKb>ab> method to determine logb>10b>P for the transfer of the hydrogen ion from water to water–methanol mixtures. Our equations can describe the transfer of neutral molecules, ions and ionic species with a standard deviation in logb>10b>P from 0.06 to 0.18 log units for a total of 118 species.KeywordsWater–methanolPartition coefficientsIonic speciesAcid dissociation constantsIonic descriptors