Back to Search Start Over

Fundamental measure theory in cylindrical geometry.

Authors :
Malijevský, Alexandr
Source :
Journal of Chemical Physics; 4/7/2007, Vol. 126 Issue 13, p134710, 10p, 1 Diagram, 12 Graphs
Publication Year :
2007

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. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
126
Issue :
13
Database :
Complementary Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
24660215
Full Text :
https://doi.org/10.1063/1.2713106