A density functional theory for colloids with two multiple bonding associating sites
Creators
- 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/10.1088/0953-8984/28/24/244009Additional details
Identifiers
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