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Cluster shape anisotropy in irreversibly aggregating particulate systems.

D Fry1, A Mohammad, A Chakrabarti

  • 1Department of Physics, Cardwell Hall, Kansas State University, Manhattan, Kansas 66506-2601, USA. dan.fry@nist.gov

Langmuir : the ACS Journal of Surfaces and Colloids
|August 25, 2004
PubMed
Summary

This study presents cluster shape anisotropy for diffusion-limited, ballistic-limited, and reaction-limited aggregation classes. Diffusion-limited aggregation exhibits the highest anisotropy, while reaction-limited shows the lowest.

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Area of Science:

  • Physics
  • Materials Science
  • Computational Chemistry

Background:

  • Cluster-cluster aggregation is a fundamental process in various scientific fields.
  • Understanding cluster shape anisotropy is crucial for characterizing aggregation dynamics.

Purpose of the Study:

  • To investigate cluster shape anisotropy across different aggregation classes (DLCA, BLCA, RLCA).
  • To compare simulation results with theoretical predictions and experimental data.

Main Methods:

  • Conducted 2D and 3D simulations for diffusion-limited cluster-cluster aggregation (DLCA), ballistic-limited cluster-cluster aggregation (BLCA), and reaction-limited cluster-cluster aggregation (RLCA).
  • Analyzed cluster shape anisotropy over a range of monomer volume fractions (10^-3 to 10^-1).

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Main Results:

  • Distinct dilute-limit shape anisotropies were observed for DLCA, BLCA, and RLCA.
  • DLCA showed the largest anisotropy, while RLCA exhibited the smallest.
  • Simulation results closely matched experimental measurements for 2D DLCA and showed slight deviations from hierarchical model predictions.

Conclusions:

  • The three aggregation classes possess unique shape anisotropy characteristics.
  • Shape anisotropy decreases over time from its initial dilute-limit value.
  • The study validates simulation models against experimental findings in aggregation science.