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Particle morphology effects in random sequential adsorption.

Lj Budinski-Petković1, I Lončarević1, D Dujak2

  • 1Faculty of Engineering, Trg D. Obradovića 6, Novi Sad 21000, Serbia.

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Summary
This summary is machine-generated.

This study numerically investigates how object shape influences random sequential adsorption on a triangular lattice. Results show shape symmetry significantly impacts adsorption kinetics and jamming density.

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Area of Science:

  • Physics
  • Materials Science
  • Computational Chemistry

Background:

  • Random sequential adsorption (RSA) is a fundamental process in surface science and materials deposition.
  • Understanding jamming density and adsorption kinetics is crucial for designing materials with desired properties.

Purpose of the Study:

  • To investigate the impact of geometrical shape properties on jamming density (θJ) and coverage fraction evolution (θ(t)) in RSA.
  • To explore the relationship between shape descriptors (rotational symmetry, shape factor) and adsorption behavior.

Main Methods:

  • Numerical study using Monte Carlo simulations.
  • Objects generated via self-avoiding lattice steps with variable sizes.
  • Analysis of adsorption kinetics and jamming density for different shapes.

Main Results:

  • The order of symmetry axes of a shape critically influences adsorption kinetics near the jamming limit.
  • Insertion probability decay follows a product of linear and stretched exponential functions across various coverages.
  • Fitting parameters correlate with shape descriptors like rotational symmetry and nonsphericity.

Conclusions:

  • Shape geometry, particularly symmetry, is a key factor in RSA processes.
  • The proposed fitting function accurately describes insertion probability and coverage evolution towards jamming.
  • This work provides insights into controlling surface coverage and packing efficiency through object design.