Browsing Institutt for materialteknologi by Journals "Fluid Phase Equilibria"
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Kirkwood-Buff integrals from molecular simulation
(Journal article; Peer reviewed, 2019)The Kirkwood-Buff (KB) theory provides a rigorous framework to predict thermodynamic properties of isotropic liquids from the microscopic structure. Several thermodynamic quantities relate to KB integrals, such as partial ...