Structure of 1-Propanol Aqueous Solution through Kirkwood-Buff Integrals and Fluctuations
نویسندگان
چکیده
منابع مشابه
Local and global properties of mixtures in one-dimensional systems. II. Exact results for the Kirkwood-Buff integrals.
The Kirkwood-Buff integrals for two-component mixtures in one-dimensional systems are calculated directly. The results are applied to square-well particles and found to agree with those obtained by the inversion of the Kirkwood-Buff theory of solutions.
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A united atom nonpolarizable force field for the simulation of mixtures of acetone and water is described. The force field is designed to reproduce the thermodynamics and aggregation behavior of acetone–water mixtures over the full composition range at 300 K and 1 atm using the enhanced simple point charge water model. The Kirkwood–Buff theory of solutions is used to relate molecular distributi...
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ژورنال
عنوان ژورنال: NIPPON KAGAKU KAISHI
سال: 2002
ISSN: 0369-4577,2185-0925
DOI: 10.1246/nikkashi.2002.301