Work

On the Kirkwood–Buff inversion procedure

Year: 2008

Type: article

Abstract: A general approach is presented to express the Kirkwood-Buff integrals, the central component of the Kirkwood-Buff theory of solutions, in terms of thermodynamic properties of solution mixtures. A general expression valid for any number of components is provided in terms of matrix cofactors, while explicit expressions are given for three and four component mixtures. The corresponding symmetric ideal solution values are also presented for four and higher component mixtures.

Source: The Journal of Chemical Physics

DOI: 10.1063/1.2982171

Author: Paul E. Smith

Institution: Kansas State University

Language: English

Topic: Thermodynamic properties of mixtures

Subfield: Fluid Flow and Transfer Processes

Field: Chemical Engineering

Domain: Physical Sciences

Open Access status: green

Funder: National Institute of General Medical Sciences

Award: Accurate Simulations of Peptide Aggregation