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On the evaluation of the Kirkwood-Buff integrals of aqueous acetone mixtures

TitleOn the evaluation of the Kirkwood-Buff integrals of aqueous acetone mixtures
Publication TypeJournal Article
Year of Publication2005
AuthorsPerera, A, Sokolic, F, Almasy, L, Westh, P, Koga, Y
JournalJournal of Chemical Physics
Volume123
Pagination11
Date PublishedJul
Type of ArticleArticle
ISBN Number0021-9606
KeywordsCONCENTRATION, FLUCTUATION, HENRYS LAW REGION, MOLECULAR-DYNAMICS, NEUTRON-SCATTERING, ORGANIC SOLUTES, TERT-BUTYL ALCOHOL, TETRAMETHYL UREA, TOTAL PRESSURE, WATER MIXTURES, X-RAY-SCATTERING
Abstract

The Kirkwood-Buff integrals of acetone-water mixtures are determined using two experimental techniques: small-angle neutron scattering and vapor pressure measurements, in order to test the precision and reliability that can be achieved. The data are then compared with those previously reported by different authors, which tend to show considerable variation between them. The various possible sources of inaccuracies are pointed out, both from experimental origins and from the numerical treatment of the data. Comparison with recent simulation results allows to critically compare different models and provide some information about the microstructure of the aqueous mixture. (c) 2005 American Institute of Physics.

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