Numerical Simulation of Non-Linear Models of Reaction—Diffusion for a DGT Sensor
MetadataShow full item record
In this work, we present a novel strategy for the numerical solution of a coupled system of partial differential equations that describe reaction–diffusion processes of a mixture of metals and ligands that can be absorbed by a sensor or a microorganism, in an aqueous medium. The novelty introduced in this work consisted of an adequate database management in conjunction with a direct iterative schema, which allowed the construction of simple, fast and efficient algorithms. Except in really adverse conditions, the calculation is converging and satisfactory solutions were reached. Computing times showed to be better than those obtained with some commercial programs. Although we concentrate on the solution for a particular system (Diffusive Gradients in Thin Films [DGT] sensors), the proposed algorithm does not require major modifications to consider new theoretical or experimental configurations. Since the quality of numerical simulations of reaction–diffusion problems often faces some drawbacks as the values of reaction rate constants increase, some additional effort has been invested in obtaining proper solutions in those cases.
Is part ofAlgorithms, 2020, vol. 13, núm. 4, p. 98
European research projects
Except where otherwise noted, this item's license is described as cc-by (c) Cecilia Averós, Joan et al., 2020
Showing items related by title, author, creator and subject.
Mongin, Sandrine; Uribe Kaffure, Ramiro; Rey Castro, Carlos; Cecilia Averós, Joan; Galceran i Nogués, Josep; Puy Llorens, Jaume (American Chemical Society, 2013)A key question for the practical application of DGT (Diffusive Gradients in Thin films) as dynamic sensors in the environmental monitoring of trace metals is the influence of pH and dissolved ligands over the linear ...
Altier Infantes, Alexandra; Jiménez-Piedrahita, Martín; Uribe Kaffure, Ramiro; Rey Castro, Carlos; Cecilia Averós, Joan; Galceran i Nogués, Josep; Puy Llorens, Jaume (CSIRO Publishing, 2018)Natural waters contain mixtures of ligands, which collectively affect the availability of trace metals. The individual contribution of each complex to the overall metal flux received by a sensor can be described in terms ...
Salvador, José; Puy Llorens, Jaume; Cecilia Averós, Joan; Galceran i Nogués, Josep (Elsevier, 2006)The analytical solution of the reaction-diffusion problem of a species forming a complex (with any association and dissociation rate constants) in solution and disappearing at an active planar surface is presented for a ...