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Effective modelling of adsorption monolayers built of complex molecules
- Publication Year :
- 2020
-
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.<br />Comment: 18 pages, 7 figures
- Subjects :
- Surface (mathematics)
Materials science
Physics and Astronomy (miscellaneous)
FOS: Physical sciences
010103 numerical & computational mathematics
01 natural sciences
Random sequential adsorption
Adsorption
Physics - Chemical Physics
Monolayer
Molecule
0101 mathematics
Condensed Matter - Statistical Mechanics
Chemical Physics (physics.chem-ph)
Numerical Analysis
Statistical Mechanics (cond-mat.stat-mech)
Applied Mathematics
Irreversible adsorption
Computational Physics (physics.comp-ph)
Computer Science Applications
010101 applied mathematics
Computational Mathematics
Range (mathematics)
Chemical physics
Modeling and Simulation
Physics - Computational Physics
Layer (electronics)
Subjects
Details
- Language :
- English
- Database :
- OpenAIRE
- Accession number :
- edsair.doi.dedup.....f536dca8f408834316bda0e4a5b6698c