Related Experiment Video
Updated: Aug 26, 2025

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
Published on: December 4, 2017
Kirkwood-Buff integrals: From fluctuations in finite volumes to the thermodynamic limit
J-M Simon1, P Krüger2, S K Schnell3
1Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR-6303 CNRS - Université de Bourgogne Franche-Comté, F-21078 Dijon, France.
Abstract:
The Kirkwood-Buff theory is a cornerstone of the statistical mechanics of liquids and solutions. It relates volume integrals over the radial distribution function, so-called Kirkwood-Buff integrals (KBIs), to particle number fluctuations and thereby to various macroscopic thermodynamic quantities such as the isothermal compressibility and partial molar volumes. Recently, the field has seen a strong revival with breakthroughs in the numerical computation of KBIs and applications to complex systems such as bio-molecules. One of the main emergent results is the possibility to use the finite volume KBIs as a tool to access finite volume thermodynamic quantities. The purpose of this Perspective is to shed new light on the latest developments and discuss future avenues.
Related Concept Videos
Thermodynamic Potentials
Conservation of Mass in Finite Cotrol Volume
A system is defined as a collection of unchanging contents, and the conservation of mass states that a system's mass is constant.
Energy Associated With a Charge Distribution
Quantifying Work
Path Between Thermodynamics States
Thermodynamics: Activity Coefficient
The activity coefficient is a measure of the deviation from ideal behavior. When the ionic strength of the solution is minimal, the activity coefficient of an ionic species is close to unity, making...

