Published August 4, 2004
| Version v1
Journal article
Rosenfeld functional for non-additive hard spheres
Creators
- 1. Soft Condensed Matter Group, Debye Institute, Utrecht University, Princetonplein 5, 3584 CC Utrecht (Netherlands)
Description
The fundamental measure density functional theory for hard spheres is generalized to binary mixtures of arbitrary positive and moderate negative non-additivity between unlike components. In bulk the theory predicts fluid-fluid phase separation into phases with different chemical compositions. The location of the accompanying critical point agrees well with previous results from simulations over a broad range of non-additivities and both for symmetric and highly asymmetric size ratios. Results for partial pair correlation functions show good agreement with simulation data. (letter to the editor)
Availability note (English)
Available online at http://stacks.iop.org/0953-8984/16/L351/cm4_30_L01.pdf or at the Web site for the Journal of Physics. Condensed Matter (ISSN 1361-648X) http://www.iop.org/Additional details
Identifiers
- URL
- http://stacks.iop.org/0953-8984/16/L351/cm4_30_L01.pdf; http://www.iop.org/;
- DOI
- 10.1088/0953-8984/16/30/L01;
- PII
- S0953-8984(04)82427-5;
Publishing Information
- Journal Title
- Journal of Physics. Condensed Matter
- Journal Volume
- 16
- Journal Issue
- 30
- Journal Page Range
- p. L351-L357
- ISSN
- 0953-8984
- CODEN
- JCOMEL
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 36004410
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; S36: MATERIALS SCIENCE; S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- ADDITIVES; ASYMMETRY; BINARY MIXTURES; CHEMICAL COMPOSITION; COMPUTERIZED SIMULATION; CORRELATION FUNCTIONS; DENSITY FUNCTIONAL METHOD; FLUIDS; SPHERES
- Descriptors DEC
- CALCULATION METHODS; DISPERSIONS; FUNCTIONS; MIXTURES; SIMULATION; VARIATIONAL METHODS