Abstract
We introduce a recent model of an isothermal, incompressible mixture of ionic species with finite ion size and solvation effects. A two point flux finite volume ansatz on unstructured meshes is chosen to discretize the model. Based on a reformulation of the continuous problem in terms of absolute activities, the Scharfetter-Gummel upwind scheme is generalized to take into account finite ion size and solvation effects in a thermodynamically consistent manner.
References
Dreyer, W., Guhlke, C., Landstorfer, M.: A mixture theory of electrolytes containing solvation effects. Electrochem. Comm. 43, 7578 (2014)
Dreyer, W., Guhlke, C., Müller, R.: Overcoming the shortcomings of the Nernst-Planck model. Phys. Chem. Chem. Phys. 15, 7075–7086 (2013)
Droniou, J.: Finite volume schemes for diffusion equations: Introduction to and review of modern methods. Math. Mod. Meth. Appl. Sci. 24(08), 1575–1619 (2014)
Eymard, R., Gallouët, T., Herbin, R.: Finite volume methods. In: Handbook of Numerical Analysis, vol. VII, pp. 713–1020. North-Holland (2000)
Fuhrmann, J.: Comparison and numerical treatment of generalised NernstPlanck models. Comput. Phys. Commun. 196, 166178 (2015)
Fuhrmann, J.: A numerical strategy for Nernst-Planck systems with solvation effect. Fuel cells, pp. 704 – 714 (2016)
Glitzky, A., Gärtner, K.: Energy estimates for continuous and discretized electro-reaction-diffusion systems. Nonlinear Anal. 70(2), 788–805 (2009)
de Groot, S.R., Mazur, P.O.: Non-Equilibrium Thermodynamics. Dover Publications, New York (1962)
Jüngel, A.: The boundedness-by-entropy method for cross-diffusion systems. Nonlinearity 28(6), 1963 (2015)
Macneal, R.H.: An asymmetrical finite difference network. Quart. Math. Appl. 11, 295–310 (1953)
Scharfetter, D.L., Gummel, H.K.: Large signal analysis of a silicon read diode. IEEE Trans. Electron. Dev. 16, 64–77 (1969)
Si, H., Gärtner, K., Fuhrmann, J.: Boundary conforming delaunay mesh generation. Comput. Math. Math. Phys. 50, 38–53 (2010)
Streckenbach, T., Fuhrmann, J., et al.: Pdelib- a software toolbox for numerical computations (2017). http://www.pdelib.org. Accessed 01 Jan 2017
Th.Wolfram, M.: Forward and inverse solvers for electrodiffusion problems. Ph.D. thesis, Johannes-Kepler University, Linz (2008)
Trefethen, L.N.: Numerical computation of the Schwarz-Christoffel transformation. SIAM J. Sci. Stat. Comput. 1(1), 82–102 (1980)
Acknowledgements
This work was carried out in the framework of the project “Macroscopic Modeling of Transport and Reaction Processes in Magnesium-Air-Batteries” (Grant 03EK3027D) under the research initiative “Energy storage” of the German Federal government.
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2017 Springer International Publishing AG
About this paper
Cite this paper
Fuhrmann, J., Guhlke, C. (2017). A Finite Volume Scheme for Nernst-Planck-Poisson Systems with Ion Size and Solvation Effects. In: Cancès, C., Omnes, P. (eds) Finite Volumes for Complex Applications VIII - Hyperbolic, Elliptic and Parabolic Problems. FVCA 2017. Springer Proceedings in Mathematics & Statistics, vol 200. Springer, Cham. https://doi.org/10.1007/978-3-319-57394-6_52
Download citation
DOI: https://doi.org/10.1007/978-3-319-57394-6_52
Published:
Publisher Name: Springer, Cham
Print ISBN: 978-3-319-57393-9
Online ISBN: 978-3-319-57394-6
eBook Packages: Mathematics and StatisticsMathematics and Statistics (R0)