Effective modelling of adsorption monolayers built of complex molecules

Abstract

Random sequential adsorption algorithm is a popular tool for modelling structure of monolayers built in irreversible adsorption experiments. However, this algorithm becomes very inefficient when the density of molecules in a layer rises. This problem has already been solved for a very limited range of basic shapes. This study presents a solution that can be used for any molecule occupying the surface that can be modelled by any number of different disks. Additionally, the presented algorithm stops when there is no possibility to add another shape to the monolayer. This allows to study properties of fully saturated, two-dimensional random packings built of complex shapes. For instance, the presented algorithm has been used to determine the mean saturated packing fractions of monolayers built of dimers and fibrinogen.

18 pages, 7 figures

References in corpus (6)

• Hyperuniform States of Matter
• Robust Algorithm to Generate a Diverse Class of Dense Disordered and Ordered Sphere Packings via Linear Programming
• Boundary conditions in random sequential adsorption
• Precise algorithm to generate random sequential adsorption of hard polygons at saturation
• Properties of random sequential adsorption of generalized dimers
• Jamming and percolation properties of random sequential adsorption with relaxation

Cited by in corpus (5)

• Saturated random packing built of arbitrary polygons under random sequential adsorption protocol
• Algorithms to generate saturated random sequential adsorption packings built of rounded polygons
• Kinetics of random sequential adsorption of two-dimensional shapes on a one-dimensional line
• Characterization of domain formation during random sequential adsorption of stiff linear $k$-mers onto a square lattice
• Percolation connectivity in deposits obtained using competitive random sequential adsorption of binary disk mixtures