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Cluster-cluster aggregation in binary mixtures

AlSunaidi1, Lach-Hab, Gonzalez

  • 1Institute for Computational Sciences and Informatics, George Mason University, Fairfax, Virginia 22030 and Institue for Physical Science and Technology, University of Maryland, College Park, Maryland 20742, USA.

Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
|October 25, 2000
PubMed
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Computer simulations reveal how two-species clusters form. Fractal dimensions depend on species ratio, with crossovers between reaction-limited and diffusion-limited aggregation behaviors observed in these complex systems.

Area of Science:

  • Condensed Matter Physics
  • Computational Physics
  • Materials Science

Background:

  • Understanding the aggregation kinetics of multi-component systems is crucial for materials design.
  • Previous studies often focused on single-component aggregation or simplified models.

Purpose of the Study:

  • To investigate the structure and aggregation kinetics of 3D clusters formed by two different monomer species.
  • To explore how bonding schemes and species concentrations influence aggregate properties.

Main Methods:

  • Extensive, large-scale computer simulations on a cubic lattice.
  • Consideration of two bonding schemes: binary diffusion-limited cluster-cluster aggregation (BDLCA) and invading BDLCA (IBDLCA).
  • Analysis of fractal dimension, dynamical quantities, and cluster-size distribution.

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Main Results:

  • Mixed aggregates exhibit self-similarity with fractal dimensions dependent on molar fraction and concentration.
  • Crossover behavior observed, approaching reaction-limited cluster-cluster aggregation (RLCA) at low molar fractions and diffusion-limited cluster-cluster aggregation (DLCA) at 0.5 molar fraction.
  • Power-law behavior in cluster dynamics observed only at low concentrations; critical transition between gelling and non-gelling systems indicated.

Conclusions:

  • The fractal dimension of mixed aggregates is tunable by controlling the molar fraction of species.
  • The aggregation process shows complex dynamics, including a transition to gelation influenced by species concentration.
  • Simulation results provide insights into the fundamental principles governing the formation of complex, multi-component aggregates.