Hydration of alcohol clusters in 1-propanol-water mixture studied by quasielastic neutron scattering and an interpretation of anomalous excess partial molar volume

Autor:	D. Hosaka, Yasuhiro Inamura, Masakatsu Misawa, Osamu Yamamuro
Rok vydání:	2006
Předmět:	integumentary system Neutron diffraction Analytical chemistry General Physics and Astronomy Partial molar property Alcohol Mole fraction Dilution Crystallography chemistry.chemical_compound 1-Propanol Molar volume chemistry Quasielastic neutron scattering Physical and Theoretical Chemistry
Zdroj:	The Journal of Chemical Physics. 125:074502
ISSN:	1089-7690 0021-9606
DOI:	10.1063/1.2241149
Popis:	Quasielastic neutron scattering measurements have been made for 1-propanol-water mixtures in a range of alcohol concentration from 0.0 to 0.167 in mole fraction at 25 degrees C. Fraction alpha of water molecules hydrated to fractal surface of alcohol clusters in 1-propanol-water mixture was obtained as a function of alcohol concentration. Average hydration number N(ws) of 1-propanol molecule is derived from the value of alpha as a function of alcohol concentration. By extrapolating N(ws) to infinite dilution, we obtain values of 12-13 as hydration number of isolated 1-propanol molecule. A simple interpretation of structural origin of anomalous excess partial molar volume of water is proposed and as a result a simple equation for the excess partial molar volume is deduced in terms of alpha. Calculated values of the excess partial molar volumes of water and 1-propanol and the excess molar volume of the mixture are in good agreement with experimental values.
Databáze:	OpenAIRE
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