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• W1993868064 abstract "An extension of the traditional Kirkwood-Buff (KB) theory of solutions is outlined which provides additional fluctuating quantities that can be used to characterize and probe the behavior of solution mixtures. Particle-energy and energy-energy fluctuations for local regions of any multicomponent solution are expressed in terms of experimentally obtainable quantities, thereby supplementing the usual particle-particle fluctuations provided by the established KB inversion approach. The expressions are then used to analyze experimental data for pure water over a range of temperatures and pressures, a variety of pure liquids, and three binary solution mixtures – methanol and water, benzene and methanol, and aqueous sodium chloride. In addition to providing information on local properties of solutions it is argued that the particle-energy and energy-energy fluctuations can also be used to test and refine solute and solvent force fields for use in computer simulation studies." @default.
• W1993868064 created "2016-06-24" @default.
• W1993868064 creator A5086241708 @default.
• W1993868064 creator A5091673051 @default.
• W1993868064 date "2011-07-27" @default.
• W1993868064 modified "2023-10-07" @default.
• W1993868064 title "Local fluctuations in solution mixtures" @default.
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• W1993868064 doi "https://doi.org/10.1063/1.3615718" @default.
• W1993868064 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/3160452" @default.
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