English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/218246
logo share SHARE logo core CORE   Add this article to your Mendeley library MendeleyBASE

Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE
Exportar a otros formatos:


Theory and simulation of the triplet structure factor and triplet direct correlation functions in binary mixtures

AuthorsJorge, S.; Lomba, Enrique ; Abascal, J. L. F.
Issue Date27-Dec-2001
PublisherAmerican Institute of Physics
CitationJournal of Chemical Physics 116: 730-736 (2002)
AbstractThe triplet direct correlation functions and structure factors related to Monte Carlo simulations were discussed for a binary mixture of hard spheres. The triple correlation functions play an essential role in the description of structure and dynamics of fluids. The two integral equation theories, namely, an extension to mixtures of Attard's inhomogeneous integral equation approach and Barat, Hansen, and Pastore's factrization ansatz, yielded estimates for the triplet structure fuctions. The study showed that the inhomogeneous integral equation theory is more suited to furnish triplet distribution function results, whereas the factorization ansatz theory is appropriate for triplet direct correlation functions.
Description7 pags., 10 figs., 1 app.
Publisher version (URL)http://dx.doi.org/10.1063/1.1426418
Identifiersdoi: 10.1063/1.1426418
issn: 0021-9606
Appears in Collections:(IQFR) Artículos
Files in This Item:
File Description SizeFormat 
Theory and simulation.pdf433,54 kBAdobe PDFThumbnail
Show full item record
Review this work

WARNING: Items in Digital.CSIC are protected by copyright, with all rights reserved, unless otherwise indicated.