# Fundamental measure theory for hard-sphere mixtures revisited: the White Bear version

@article{Roth2002FundamentalMT, title={Fundamental measure theory for hard-sphere mixtures revisited: the White Bear version}, author={Roland Roth and Robert Evans and Andreas Lang and Gerhard Kahl}, journal={Journal of Physics: Condensed Matter}, year={2002}, volume={14}, pages={12063-12078} }

We develop a density functional for hard-sphere mixtures which keeps the structure of Rosenfeld's fundamental measure theory (FMT) whilst inputting the Mansoori–Carnahan–Starling–Leland bulk equation of state. Density profiles for the pure hard-sphere fluid and for some binary mixtures adsorbed at a planar hard wall obtained from the present functional exhibit some improvement over those from the original FMT. The pair direct correlation function c(2) (r) of the pure hard-sphere fluid, obtained…

## 502 Citations

Density functional theory for hard-sphere mixtures: the White Bear version mark II.

- Materials ScienceJournal of physics. Condensed matter : an Institute of Physics journal
- 2006

A new density functional for hard-sphere mixtures which is based on a recent mixture extension of the Carnahan-Starling equation of state is derived, which improves upon consistency with an exact scaled-particle theory relation in the case of the pure fluid.

Alternative fundamental measure theory for additive hard sphere mixtures.

- PhysicsThe Journal of chemical physics
- 2006

An alternative fundamental measure theory for hard sphere mixtures incorporating Boublik's multicomponent extension of highly accurate Kolafa's equation of state for pure hard spheres and some improvement over the original Rosenfeld's FMT and its modification at the contact region is presented.

Fundamental measure theory for hard-sphere mixtures: a review.

- PhysicsJournal of physics. Condensed matter : an Institute of Physics journal
- 2010

This review aims to provide a starting point for readers new to fundamental measure theory and an overview of important developments.

Contact values of highly asymmetric hard sphere mixtures from Fundamental Measure Density Functional Theory

- Mathematics
- 2011

The White Bear version of Fundamental Measure Theory (FMT-WB) has been tested in binary mixtures of hard spheres in the vicinity of the colloidal limit, where the size ratio of the two species is…

Scalar fundamental measure theory for hard spheres in three dimensions: application to hydrophobic solvation.

- PhysicsThe Journal of chemical physics
- 2012

This work shows how the Kierlik-Rosinberg's scalar version of the fundamental measure density functional theory of hard spheres can be implemented and minimized in three dimensions to describe fluid mixtures in complex environments.

Generalization of the Fundamental-Measure Theory Beyond Hard Potentials: The Square-Well Fluid Case

- Mathematics
- 2016

The fundamental-measure theory (FMT) developed at the end of the 1980s for hard-sphere inhomogeneous fluids has revolutionized density functional theories (DFTs), allowing one to describe accurately…

Long-range weight functions in fundamental measure theory of the non-uniform hard-sphere fluid.

- PhysicsJournal of physics. Condensed matter : an Institute of Physics journal
- 2016

A free energy is constructed which is based on the accurate Carnahan-Starling equation of state, rather than the Percus-Yevick compressibility equation underlying standard FMT, to improve agreement close to contact.

Structures and correlation functions of multicomponent and polydisperse hard-sphere mixtures from a density functional theory.

- PhysicsThe Journal of chemical physics
- 2004

The density functional theory predicted oscillatory size segregations near a hard wall for a polydisperse hard-sphere fluid of a uniform size distribution and excellent agreement was achieved between theory and Monte Carlo simulations.

Modified fundamental-measure theory for additive hard-disk fluids.

- PhysicsThe Journal of chemical physics
- 2006

The calculated results show that the MFMT theory yields in an excellent agreement with the computer simulations and is better than the original FMT proposed by Rosenfeld and co-workers.

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