Literature DB >> 17430059

Fundamental measure theory in cylindrical geometry.

Alexandr Malijevský1.   

Abstract

Density functional theory as proposed by Rosenfeld [Phys. Rev. Lett. 63, 980 (1989)] is used to study hard sphere mixture exposed by cylindrically symmetric external field. Exploiting the symmetry of the system, explicit formulas for the weighted densities are derived. The resulting density profiles are compared with new grand canonical Monte Carlo simulations. The comparison reveals very good agreement between the predicted and simulated results even at high densities and very narrow pores. Finally, simple algorithms for computing complete elliptic functions of the first and second kinds that occur in the derived formulae are presented to make the paper self-contained.

Year:  2007        PMID: 17430059     DOI: 10.1063/1.2713106

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Microstructure of Flow-Driven Suspension of Hardspheres in Cylindrical Confinement: A Dynamical Density Functional Theory and Monte Carlo Study.

Authors:  Hsiu-Yu Yu; Zahera Jabeen; David M Eckmann; Portonovo S Ayyaswamy; Ravi Radhakrishnan
Journal:  Langmuir       Date:  2017-09-01       Impact factor: 3.882

  1 in total

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