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About: Kirkwood–Buff solution theory     Goto   Sponge   NotDistinct   Permalink

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The Kirkwood–Buff (KB) solution theory, due to John G. Kirkwood and , links macroscopic (bulk) properties to microscopic (molecular) details. Using statistical mechanics, the KB theory derives thermodynamic quantities from pair correlation functions between all molecules in a multi-component solution. The KB theory proves to be a valuable tool for validation of molecular simulations, as well as for the molecular-resolution elucidation of the mechanisms underlying various physical processes. For example, it has numerous applications in biologically relevant systems.