Published June 22, 2016 | Version v1
Journal article

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

  • 1. Chemical and Biomolecular Engineering Department, Rice University, 6100 Main Street, Houston, TX, 77005 (United States)

Description

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. (paper)

Availability note (English)

Available from http://dx.doi.org/10.1088/0953-8984/28/24/244009

Additional details

Publishing Information

Journal Title
Journal of Physics. Condensed Matter
Journal Volume
28
Journal Issue
24
Journal Page Range
[13 p.]
ISSN
0953-8984
CODEN
JCOMEL

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
49029548
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
BOUND STATE; BULK DENSITY; COLLOIDS; COMPUTERIZED SIMULATION; DENSITY FUNCTIONAL METHOD; DISTANCE; EQUATIONS OF STATE; FLUIDS; FORECASTING; MONTE CARLO METHOD
Descriptors DEC
CALCULATION METHODS; DENSITY; DISPERSIONS; EQUATIONS; PHYSICAL PROPERTIES; SIMULATION; VARIATIONAL METHODS