Title: Nonrandom behavior in multicomponent lattice mixtures : effects of solute size and shape
Authors : Aranovich, G. L.
Hocker, Thomas
Wu, D. W.
Donohue, M. D.
Published in : The Journal of Chemical Physics
Volume(Issue) : 106
Issue : 24
Pages : 10282
Pages to: 10291
Publisher / Ed. Institution : AIP Publishing LLC
Issue Date: 1997
License (according to publishing contract) : Licence according to publishing contract
Type of review: Peer review (Publication)
Language : English
Subjects : Lattice; Nonrandom; Multicomponent; Theory
Subject (DDC) : 530: Physics
540: Chemistry
Abstract: A new lattice theory is proposed to describe nonrandom behavior for multicomponent mixtures of monomers, for mixtures of monomers interacting with a polymer, and for mixtures of monomers at a surface. Based on concepts first proposed by Ono and Kondo, this new approach allows one to derive local densities around each species taking into account molecular interactions as well as molecular geometry and lattice structure. This approach can be used to describe a number of very different systems in the framework of a single model. The generalizations presented here are rigorous in that no assumptions beyond those of the original binary theory are needed in order to treat multicomponent mixtures of molecules of different sizes and shapes.
Departement: School of Engineering
Organisational Unit: Institute of Computational Physics (ICP)
Publication type: Article in scientific Journal
DOI : 10.1063/1.474065
ISSN: 0021-9606
URI: https://digitalcollection.zhaw.ch/handle/11475/1651
Appears in Collections:Publikationen School of Engineering

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