Mode-coupling theory predictions for a limited valency attractive square well model
Creators
- 1. Dipartimento di Fisica and CNR-INFM-SOFT, Universita di Roma 'La Sapienza', Piazzale Aldo Moro 2, I-00185, Rome (Italy)
- 2. Department of Chemistry, University of Saskatchewan, Saskatoon, Saskatchewan, S7N 5C9 (Canada)
- 3. Donostia International Physics Center, Paseo Manuel de Lardizabal 4, E-20018 San Sebastian (Spain)
- 4. Department of Physics, Yeshiva University, 500 W 185th Street, New York, NY 10033 (United States)
- 5. Dipartimento di Fisica and CNR-INFM-SMC, Universita di Roma 'La Sapienza', Piazzale Aldo Moro 2, I-00185, Rome (Italy)
Description
Recently we have studied, using numerical simulations, a limited valency model, i.e. an attractive square well model with a constraint on the maximum number of bonded neighbours. Studying a large region of temperatures T and packing fractions φ, we have estimated the location of the liquid-gas phase separation spinodal and the loci of dynamic arrest, where the system is trapped in a disordered non-ergodic state. Two distinct arrest lines for the system are present in the system: a (repulsive) glass line at high packing fraction, and a gel line at low φ and T. The former is essentially vertical φ controlled), while the latter is rather horizontal (T controlled) in the φ-T) plane. We here complement the molecular dynamics results with mode coupling theory calculations, using the numerical structure factors as input. We find that the theory predicts a repulsive glass line-in satisfactory agreement with the simulation results-and an attractive glass line, which appears to be unrelated to the gel line
Availability note (English)
Available online at http://stacks.iop.org/0953-8984/18/S2373/cm6_36_S11.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/0953-8984/18/S2373/cm6_36_S11.pdf; http://www.iop.org/;
- DOI
- 10.1088/0953-8984/18/36/S11;
- PII
- S0953-8984(06)17760-7;
Publishing Information
- Journal Title
- Journal of Physics. Condensed Matter
- Journal Volume
- 18
- Journal Issue
- 36
- Journal Page Range
- p. S2373-S2382
- ISSN
- 0953-8984
- CODEN
- JCOMEL
Conference
- Title
- Workshop on topics in the application of scattering methods to investigate the structure and dynamics of soft condensed matter
- Dates
- 11-13 Nov 2005
- Place
- Florence (Italy)
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 38012383
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- COMPUTERIZED SIMULATION; COUPLING; GELS; GLASS; LIQUIDS; MOLECULAR DYNAMICS METHOD; STRUCTURE FACTORS; TRAPPING; VALENCE; VALENCY MODEL
- Descriptors DEC
- CALCULATION METHODS; COLLOIDS; DIMENSIONLESS NUMBERS; DISPERSIONS; FLUIDS; MATHEMATICAL MODELS; NUCLEAR MODELS; SIMULATION