Unknown

Dataset Information

0

Local fluctuations in solution mixtures.


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.

SUBMITTER: Ploetz EA 

PROVIDER: S-EPMC3160452 | biostudies-other | 2011 Jul

REPOSITORIES: biostudies-other

Similar Datasets

| S-EPMC2719477 | biostudies-other
| S-EPMC2077022 | biostudies-literature
| PRJEB26324 | ENA
| S-EPMC5532130 | biostudies-other
| S-EPMC5471275 | biostudies-literature
| S-EPMC3632346 | biostudies-literature
| S-EPMC6736388 | biostudies-literature
| S-EPMC6357732 | biostudies-literature
| S-EPMC6658493 | biostudies-literature
| S-EPMC8703136 | biostudies-literature