Published September 13, 2006 | Version v1
Journal article

Mode-coupling theory predictions for a limited valency attractive square well model

  • 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

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