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Authors: Tanja Clees 1 ; Igor Nikitin 1 ; Lialia Nikitina 1 ; Sabine Pott 1 ; Ulrike Krewer 2 and Theresa Haisch 2

Affiliations: 1 Fraunhofer Institute for Algorithms and Scientific Computing, Sankt Augustin and Germany ; 2 Institute of Energy and Process Systems Engineering, Technical University Braunschweig and Germany

ISBN: 978-989-758-323-0

Keyword(s): Complex Systems Modeling and Simulation, Non-linear Optimization, Parameter Identification, Application in Electrochemistry.

Related Ontology Subjects/Areas/Topics: Computer Simulation Techniques ; Formal Methods ; Non-Linear Systems ; Performance Analysis ; Simulation and Modeling ; Simulation Tools and Platforms

Abstract: Alkaline methanol oxidation is an electrochemical process, perspective for the design of efficient high energy density fuel cells. The process involves a large number of elementary reactions, forming a complex reaction graph, and it is described by a system of non-linear differential equations of high order. The purpose of parameter identification is a reconstruction of reaction constants in this model on the basis of available experimental data. Cyclic voltammetry, a measurement of dynamical current-voltage characteristic of the cell, is especially suitable for analysis of electrochemical kinetics. In this paper we present several approaches for parameter identification in cyclic voltammetry of alkaline methanol oxidation. With the aid of global optimization methods and interactive parameter study we find four islands of solutions in parameter space, corresponding to different chemical mechanisms of the process. The main features of solutions are discussed and the reconstructed react ion constants are presented. (More)

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Paper citation in several formats:
Clees, T.; Nikitin, I.; Nikitina, L.; Pott, S.; Krewer, U. and Haisch, T. (2018). Parameter Identification in Cyclic Voltammetry of Alkaline Methanol Oxidation.In Proceedings of 8th International Conference on Simulation and Modeling Methodologies, Technologies and Applications - Volume 1: SIMULTECH, ISBN 978-989-758-323-0, pages 279-288. DOI: 10.5220/0006832002790288

@conference{simultech18,
author={Tanja Clees. and Igor Nikitin. and Lialia Nikitina. and Sabine Pott. and Ulrike Krewer. and Theresa Haisch.},
title={Parameter Identification in Cyclic Voltammetry of Alkaline Methanol Oxidation},
booktitle={Proceedings of 8th International Conference on Simulation and Modeling Methodologies, Technologies and Applications - Volume 1: SIMULTECH,},
year={2018},
pages={279-288},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0006832002790288},
isbn={978-989-758-323-0},
}

TY - CONF

JO - Proceedings of 8th International Conference on Simulation and Modeling Methodologies, Technologies and Applications - Volume 1: SIMULTECH,
TI - Parameter Identification in Cyclic Voltammetry of Alkaline Methanol Oxidation
SN - 978-989-758-323-0
AU - Clees, T.
AU - Nikitin, I.
AU - Nikitina, L.
AU - Pott, S.
AU - Krewer, U.
AU - Haisch, T.
PY - 2018
SP - 279
EP - 288
DO - 10.5220/0006832002790288

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