A density functional theory for colloids with two multiple bonding associating sites

Wertheim's multi-density formalism is extended for patchy colloidal fluids with two multiple bonding patches. The theory is developed as a density functional theory to predict the properties of an associating inhomogeneous fluid. The equation of state developed for this fluid depends on the siz...

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Bibliographic Details
Published inJournal of physics. Condensed matter Vol. 28; no. 24; p. 244009
Main Authors Haghmoradi, Amin, Wang, Le, Chapman, Walter G
Format Journal Article
LanguageEnglish
Published England IOP Publishing 22.06.2016
Subjects
Bonding
classical density functional theory
Colloids
Computer simulation
Condensed matter
confined fluid
Density functional theory
Fluids
Formalism
patchy colloid
thermodynamics
Walls
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Summary:Wertheim's multi-density formalism is extended for patchy colloidal fluids with two multiple bonding patches. The theory is developed as a density functional theory to predict the properties of an associating inhomogeneous fluid. The equation of state developed for this fluid depends on the size of the patch, and includes formation of cyclic, branched and linear clusters of associated species. The theory predicts the density profile and the fractions of colloids in different bonding states versus the distance from one wall as a function of bulk density and temperature. The predictions from our theory are compared with previous results for a confined fluid with four single bonding association sites. Also, comparison between the present theory and Monte Carlo simulation indicates a good agreement.
Bibliography:JPCM-105966.R1
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ISSN:0953-8984
1361-648X
DOI:10.1088/0953-8984/28/24/244009