Literature DB >> 16942301

Density functional theory of fluids in nanopores: analysis of the fundamental measures theory in extreme dimensional-crossover situations.

A González1, J A White, F L Román, S Velasco.   

Abstract

Two density functional theories, the fundamental measures theory of Rosenfeld [Phys. Rev. Lett. 63, 980 (1989)] and a subsequent approximation by Tarazona [Phys. Rev. Lett. 84, 694 (2000)] are applied to the study of the hard-sphere fluid in two situations: the cylindrical pore and the spherical cavity. The results are compared with those obtained with grand canonical ensemble Monte Carlo simulations. The differences between both theories are evaluated and interpreted in the terms of the dimensional crossover from three to one and zero dimensions.

Mesh:

Year:  2006        PMID: 16942301     DOI: 10.1063/1.2227389

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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