Decay of Correlations in Bulk Fluids and at Interfaces: A Density-Functional Perspective

R Evans, RJF Leote De Carvalho

Research output: Chapter in Book/Report/Conference proceedingConference Contribution (Conference Proceeding)

1 Citation (Scopus)

Abstract

Density functional methods can be used to show that for classical fluids with short-ranged interatomic potentials the length scales which describe the asymptotic decay of the one-body density profile at a fluid interface are the same as those which determine the decay of the two-body correlation function g(r) of the bulk fluid. This general result has striking implications for a variety of interracial properties - the possible occurrence of oscillations in the liquid-vapour density profile, the occurrence of wetting and layering phase transitions at substrate-fluid interfaces and the nature of the decay of the solvation force for a confined fluid. For fluids whose potentials have power-law decay the density profiles and g(r) exhibit power-law decay at longest range. However, for liquid densities the intermediate range damped oscillatory decay is governed by the same leading-order pole structure that describes short-ranged forces. Recent work on the decay of correlations in binary liquid mixtures and in ionic fluids is also described.
Translated title of the contributionDecay of Correlation in Bulk Fluids and at Interfaces : A Density Functional Perspective
Original languageEnglish
Title of host publicationChemical Applications of Density-Functional Theory
PublisherAmerican Chemical Society
Pages166-184
Number of pages19
ISBN (Print)9780841234031, 9780841215788
DOIs
Publication statusPublished - 5 May 1996

Publication series

NameACS Symposium Series
PublisherAmerican Chemical Society
Volume629
ISSN (Print)0097-6156
ISSN (Electronic)1947-5918

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