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

@article{HansenGoos2006DensityFT, title={Density functional theory for hard-sphere mixtures: the White Bear version mark II}, author={Hendrik Hansen-Goos and Roland Roth}, journal={Journal of Physics: Condensed Matter}, year={2006}, volume={18}, pages={8413 - 8425} }

In the spirit of the White Bear version of fundamental measure theory we derive a new density functional for hard-sphere mixtures which is based on a recent mixture extension of the Carnahan–Starling equation of state. In addition to the capability to predict inhomogeneous density distributions very accurately, like the original White Bear version, the new functional improves upon consistency with an exact scaled-particle theory relation in the case of the pure fluid. We examine consistency in…

## 140 Citations

### 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…

### 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…

### Thermodynamics of the hard-disk fluid at a planar hard wall: Generalized scaled-particle theory and Monte Carlo simulation.

- PhysicsThe Journal of chemical physics
- 2018

A generalized scaled-particle theory for the uniform hard-disk mixture is derived in the spirit of the White Bear II free energy of the hard-sphere fluid and Monte Carlo simulations find excellent overall agreement between theory and simulation but it also becomes apparent that the set of scaled- particle variables available in d = 2 is too limited, prohibiting a quasi-exact result for γ.

### 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.

### Fundamental measure theory for non-spherical hard particles: predicting liquid crystal properties from the particle shape.

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

Improvements of the DFT framework fundamental measure theory for hard bodies are presented and validated and it is shown that the phase diagram for spherocylinders is described with similar accuracy in both versions of the theory.

### Explicitly stable fundamental-measure-theory models for classical density functional theory.

- MathematicsPhysical review. E
- 2020

It is shown that within the present paradigm, explicit stability of the functional can be achieved only at the cost of giving up accuracy at low densities, and argued that this is an acceptable trade-off since the main value of DFT lies in the study of dense systems.

### Communication: Dynamical density functional theory for dense suspensions of colloidal hard spheres.

- Materials ScienceThe Journal of chemical physics
- 2015

The theory accurately yields the crossover from free diffusion at short times to the slower long-time diffusion in a crowded environment and is in excellent agreement with numerical simulations even in the dense liquid phase.

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