Literature DB >> 21690897

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

Hendrik Hansen-Goos1, Roland Roth.   

Abstract

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 detail within the context of morphological thermodynamics. Interestingly, for the pure fluid the degree of consistency of the new version is not only higher than for the original White Bear version but also higher than for Rosenfeld's original fundamental measure theory.

Entities:  

Year:  2006        PMID: 21690897     DOI: 10.1088/0953-8984/18/37/002

Source DB:  PubMed          Journal:  J Phys Condens Matter        ISSN: 0953-8984            Impact factor:   2.333


  8 in total

1.  Energy variational analysis of ions in water and channels: Field theory for primitive models of complex ionic fluids.

Authors:  Bob Eisenberg; Yunkyong Hyon; Chun Liu
Journal:  J Chem Phys       Date:  2010-09-14       Impact factor: 3.488

2.  An efficient algorithm for classical density functional theory in three dimensions: ionic solutions.

Authors:  Matthew G Knepley; Dmitry A Karpeev; Seth Davidovits; Robert S Eisenberg; Dirk Gillespie
Journal:  J Chem Phys       Date:  2010-03-28       Impact factor: 3.488

3.  Bubbles, gating, and anesthetics in ion channels.

Authors:  Roland Roth; Dirk Gillespie; Wolfgang Nonner; Robert E Eisenberg
Journal:  Biophys J       Date:  2008-01-30       Impact factor: 4.033

4.  Poisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes II: size effects on ionic distributions and diffusion-reaction rates.

Authors:  Benzhuo Lu; Y C Zhou
Journal:  Biophys J       Date:  2011-05-18       Impact factor: 4.033

5.  Ionic asymmetry and solvent excluded volume effects on spherical electric double layers: a density functional approach.

Authors:  Bharat Medasani; Zaven Ovanesyan; Dennis G Thomas; Maria L Sushko; Marcelo Marucho
Journal:  J Chem Phys       Date:  2014-05-28       Impact factor: 3.488

6.  Polar-solvation classical density-functional theory for electrolyte aqueous solutions near a wall.

Authors:  Vadim Warshavsky; Marcelo Marucho
Journal:  Phys Rev E       Date:  2016-04-18       Impact factor: 2.529

7.  Electrical double layer properties of spherical oxide nanoparticles.

Authors:  Christian Hunley; Marcelo Marucho
Journal:  Phys Chem Chem Phys       Date:  2017-02-15       Impact factor: 3.676

8.  Micelle and bilayer formation of amphiphilic janus particles in a slit-pore.

Authors:  Gerald Rosenthal; Sabine H L Klapp
Journal:  Int J Mol Sci       Date:  2012-07-26       Impact factor: 6.208

  8 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.