Title
On A Robust And Efficient Numerical Scheme For The Simulation Of Stationary 3-Component Systems With Non-Negative Species-Concentration With An Application To The Cu Deposition From A Cu-(Beta-Alanine)-Electrolyte
Abstract
Three-component systems of diffusion-reaction equations play a central role in the modelling and simulation of chemical processes in engineering, electro-chemistry, physical chemistry, biology, population dynamics, etc. A major question in the simulation of three-component systems is how to guarantee non-negative species distributions in the model and how to calculate them effectively. Current numerical methods to enforce non-negative species distributions tend to be cost-intensive in terms of computation time and they are not robust for big rate constants of the considered reaction. In this article, a method, as a combination of homotopy methods, modern augmented Lagrangian methods, and adaptive FEMs is outlined to obtain a robust and efficient method to simulate diffusion-reaction models with non-negative concentrations. Although in this paper the convergence analysis is not described rigorously, multiple numerical examples as well as an application to elctro-deposition from an aqueous Cu2+-(beta-alanine) electrolyte are presented.
Year
DOI
Venue
2021
10.3390/a14040113
ALGORITHMS
Keywords
DocType
Volume
diffusion-reaction system, augmented lagrangian method, adaptive FEM, laminar diffusion boundary layer, three-component system, complexation of metal ions, obstacle problem
Journal
14
Issue
Citations 
PageRank 
4
0
0.34
References 
Authors
0
3
Name
Order
Citations
PageRank
Stephan Daniel Schwoebel101.01
Thomas Mehner201.01
Thomas Lampke322.60