In this paper, we review recent advances in the Continuous Fractional Component Monte
Carlo (CFCMC) methodology and present a historic overview of the most important …

The predictive capabilities of some existing theoretical models to quantify thermodiffusion
have been investigated in this work. To do so, the tests have been performed on two model …

Abstract The Kirkwood-Buff (KB) theory provides a rigorous framework to predict
thermodynamic properties of isotropic liquids from the microscopic structure. Several …

The computation of Kirkwood–Buff integrals (KBIs) using molecular simulations of closed
systems is challenging due to finite system-size effects. One of the problems involves the …

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 …

The modelling of thermodynamic properties of liquids from local density fluctuations is
relevant to many chemical and biological processes. The Kirkwood–Buff (KB) theory …

The present text is planned as the theoretical part of a book in nanothermodynamics. The
book will have two parts; a theoretical part (the present document) and a part which …

This book grew out of an idea to study properties of small subsystems of a large reservoir.
Observations were at the time not explainable with standard thermodynamics. But the theory …

Kirkwood-Buff (KB) integrals provide a connection between microscopic properties and
thermodynamic properties of multicomponent fluids. The estimation of KB integrals using …

Small systems are known to deviate from the classical thermodynamic description, among
other things due to their large surface area to volume ratio compared to corresponding big …