Kirkwood-Buff integration: A promising route to entropic properties?

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چکیده

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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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Tom Kirkwood

Tom Kirkwood is Professor of Medicine and Director of the Institute for Ageing and Health at Newcastle University, UK. After training in mathematics and biology at the Universities of Cambridge and Oxford he first worked on the measurement of blood clotting and fibrinolytic factors. Early in his career he began an interest in the biology of ageing which he has followed since 1975. In 1977 he pu...

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ژورنال

عنوان ژورنال: Fluid Phase Equilibria

سال: 2019

ISSN: 0378-3812

DOI: 10.1016/j.fluid.2018.12.015