Aerosol Uptake Described by Numerical Solution of the Diffusion−Reaction Equations in the Particle

2003 ◽  
Vol 107 (45) ◽  
pp. 9582-9587 ◽  
Author(s):  
Geoffrey D. Smith ◽  
Ephraim Woods ◽  
Tomas Baer ◽  
Roger E. Miller
2020 ◽  
Author(s):  
Miftachul Hadi

We review the work of Ranjit Kumar, R S Kaushal, Awadhesh Prasad. The work is still in progress.


Algorithms ◽  
2021 ◽  
Vol 14 (4) ◽  
pp. 113
Author(s):  
Stephan Daniel Schwoebel ◽  
Thomas Mehner ◽  
Thomas Lampke

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+-(β-alanine) electrolyte are presented.


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