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pubmed-article:18599448pubmed:abstractTextPairwise additivity of the hydrophobic effect is indicated by reliable experimental Henry's constants for a large number of linear and branched low-molecular-weight alkanes in water. Pairwise additivity suggests that the hydrophobic effect is primarily a local phenomenon and that the hydrophobic interaction may be represented by a semiempirical force field. By representing the hydrophobic potential between two methane molecules as a linear function of the overlap volume of the hydration layers, we find that the contact value of the hydrophobic potential (-0.72 kcal/mol) is smaller than that from quantum mechanics simulations (-2.8 kcal/mol) but is close to that from classical molecular dynamics (-0.5 approximately -0.9 kcal/mol).lld:pubmed
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pubmed-article:18599448pubmed:authorpubmed-author:WuJianzhongJlld:pubmed
pubmed-article:18599448pubmed:authorpubmed-author:PrausnitzJohn...lld:pubmed
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pubmed-article:18599448pubmed:pagination9512-5lld:pubmed
pubmed-article:18599448pubmed:dateRevised2010-11-18lld:pubmed
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pubmed-article:18599448pubmed:articleTitlePairwise-additive hydrophobic effect for alkanes in water.lld:pubmed
pubmed-article:18599448pubmed:affiliationDepartment of Chemical and Environmental Engineering, University of California, Riverside, CA 92521, USA.lld:pubmed
pubmed-article:18599448pubmed:publicationTypeJournal Articlelld:pubmed
pubmed-article:18599448pubmed:publicationTypeResearch Support, U.S. Gov't, Non-P.H.S.lld:pubmed