Simulation of Diffusion-Controlled Growth of Interdependent Nuclei under Potentiostatic Conditions

The problem of diffusion-controlled growth following an instantaneous nucleation event was studied within the framework of a new numerical model, considering the spatial distribution of hemispherical nuclei on the electrode surface and the mutual influence of growing nuclei via the collision of 3D d...

Full description

Saved in:
Bibliographic Details
Published in:Materials 2022-05, Vol.15 (10), p.3603
Main Authors: Kosov, Alexander V, Grishenkova, Olga V, Isaev, Vladimir A, Zaikov, Yuriy
Format: Article
Language:English
Subjects:
Approximation
Diffusion
Electrodes
Finite difference method
Kinetics
Mathematical analysis
Nucleation
Nuclei
Numerical models
Simulation
Size distribution
Spatial distribution
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The problem of diffusion-controlled growth following an instantaneous nucleation event was studied within the framework of a new numerical model, considering the spatial distribution of hemispherical nuclei on the electrode surface and the mutual influence of growing nuclei via the collision of 3D diffusion fields. The simulation of the diffusion-controlled growth of hexagonal and random ensembles was performed at the overpotential-dependent number density of nuclei. The diffusion flow to each nucleus within a random ensemble was simulated by the finite difference method using the derived analytical expressions for the surface areas and the volumes formed at the intersection of 3D diffusion fields with the side faces of a virtual right prism with a Voronoi polygon base. The implementation of this approach provides an accurate calculation of concentration profiles, time dependences of the size of nuclei, and current transients. The results, including total current density transients, growth exponents, and nucleus size distribution, were compared with models developed within the concept of planar diffusion zones, the mean-field approximation and the Brownian dynamics simulation method, as well as with experimental data from the literature. The prospects of the model for studying the initial stages of electrocrystallization were discussed.
ISSN:1996-1944
1996-1944
DOI:10.3390/ma15103603