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Ziel des Projekts STABIL war die Vorhersage der Alterung und Verbesserung der Lebensdauer von mobilen und stationären Lithium-Ionen-Batterien. Batterien sind zentrale Komponenten der Elektromobilität und der stationären Speicherung von regenerativem Strom. Die im Stand der Technik unzureichende Lebensdauer der Batterie ist heute wesentlicher Kostentreiber. Im Projekt wurde daher in einem skalenübergreifenden und interdisziplinären Ansatz das Verhalten von einzelnen Batteriezellen und ganzen Batteriesystemen unter zwei unterschiedlichen systemischen Randbedingungen untersucht.
Ziel des LiBaLu-Teilprojekts Modellierung und Simulation war die Unterstützung der Elektroden- und Zellentwicklung mit Hilfe umfangreicher Computersimulationen im Sinne des computergestützten Engineering (CAE). Zwei verschiedene Schwerpunkte standen im Mittelpunkt der Untersuchungen. Zum einen wurde das mechanistische Verständnis der komplexen Elektrochemie in Lithium-Luftbatterien durch mikrokinetische Modelle aufgeklärt. Auf Basis von postulierten Mehrschrittmechanismen wurden makroskopische Eigenschaften (Entlade-/Ladekennlinien, Zyklovoltammogramme) vorhergesagt und mit experimentellen Daten der Projektpartner verglichen. Zum anderen wurde das Design der Prototypzelle mit Hilfe numerischer Simulationen untersucht und optimiert. So konnten z. B. optimale Schichtdicken oder die Rolle von Gastransportlimitierungen identifiziert werden.
Die Erfindung betrifft eine Photovoltaik-Stromversorgungsvorrichtung, insbesondere vom öffentlichen Stromnetz unabhängige Photovoltaik-Stromversorgungsvorrichtung, mit einem positiven (204) und einem negativen (206) Lastanschluss für den Anschluss einer elektrischen Last, mit einer Mehrzahl von photovoltaischen Zellen (104) und einer wiederaufladbaren Batterie (5), welche wenigstens zwei in Serie geschaltete Batteriezellen (112) umfasst. Nach der Erfindung sind die photovoltaischen Zellen (104) zu einer der Anzahl der Batteriezellen (112) entsprechenden Anzahl von seriell verbundenen Teilstrings (108) verschaltet und jeder Teilstring (108) ist mit einem positiven Teilstringanschluss mit einem Pluspol und mit einem negativen Teilstringanschluss mit einem Minuspol einer zugeordneten Batteriezelle (112) oder mehreren zugeordneten parallel geschalteten Batteriezellen (112) verbunden. Dabei kann jeder Teilstring (108) zwischen dem positiven und negativen Teilstringanschluss eine maximale Leerlaufspannung erzeugen, die kleiner oder gleich einer vorgegebenen Ladeschlussspannung der zugeordneten Batteriezelle (112) oder der zugeordneten parallel geschalteten Batteriezellen (112) ist. Weiterhin betrifft die Erfindung eine Schaltungsanordnung zum Laden einer wiederaufladbaren Batterie, die zur Realisierung einer derartigen Photovoltaik-Stromversorgungsvorrichtung geeignet ist.
In this article the high-temperature behavior of a cylindrical lithium iron phosphate/graphite lithium-ion cell is investigated numerically and experimentally by means of differential scanning calorimetry (DSC), accelerating rate calorimetry (ARC), and external short circuit test (ESC). For the simulations a multi-physics multi-scale (1D+1D+1D) model is used. Assuming a two-step electro-/thermochemical SEI formation mechanism, the model is able to qualitatively reproduce experimental data at temperatures up to approx. 200 °C. Model assumptions and parameters could be evaluated via comparison to experimental results, where the three types of experiments (DSC, ARC, ESC) show complementary sensitivities towards model parameters. The results underline that elevated-temperature experiments can be used to identify parameters of the multi-physics model, which then can be used to understand and interpret high-temperature behavior. The resulting model is able to describe nominal charge/discharge operation behavior, long-term calendaric aging behavior, and short-term high-temperature behavior during extreme events, demonstrating the descriptive and predictive capabilities of physicochemical models.
Modeling and simulation play a key role in analyzing the complex electrochemical behavior of lithium-ion batteries. We present the development of a thermodynamic and kinetic modeling framework for intercalation electrochemistry within the open-source software Cantera. Instead of using equilibrium potentials and single-step Butler-Volmer kinetics, Cantera is based on molar thermodynamic data and mass-action kinetics, providing a physically-based and flexible means for complex reaction pathways. Herein, we introduce a new thermodynamic class for intercalation materials into the open-source software. We discuss the derivation of molar thermodynamic data from experimental half-cell potentials, and provide practical guidelines. We then demonstrate the new class using a single-particle model of a lithium cobalt oxide/graphite lithium-ion cell, implemented in MATLAB. With the present extensions, Cantera provides a platform for the lithium-ion battery modeling community both for consistent thermodynamic and kinetic models and for exchanging the required thermodynamic and kinetic parameters. We provide the full MATLAB code and parameter files as supplementary material to this article.
The measurement of the active material volume fraction in composite electrodes of lithium-ion battery cells is difficult due to the small (sub-micrometer) and irregular structure and multi-component composition of the electrodes, particularly in the case of blend electrodes. State-of-the-art experimental methods such as focused ion beam/scanning electron microscopy (FIB/SEM) and subsequent image analysis require expensive equipment and significant expertise. We present here a simple method for identifying active material volume fractions in single-material and blend electrodes, based on the comparison of experimental equilibrium cell voltage curve (open-circuit voltage as function of charge throughput) with active material half-cell potential curves (half-cell potential as function of lithium stoichiometry). The method requires only (i) low-current cycling data of full cells, (ii) cell opening for measurement of electrode thickness and active electrode area, and (iii) literature half-cell potentials of the active materials. Mathematical optimization is used to identify volume fractions and lithium stoichiometry ranges in which the active materials are cycled. The method is particularly useful for model parameterization of either physicochemical (e.g., pseudo-two-dimensional) models or equivalent circuit models, as it yields a self-consistent set of stoichiometric and structural parameters. The method is demonstrated using a commercial LCO–NCA/graphite pouch cell with blend cathode, but can also be applied to other blends (e.g., graphite–silicon anode).
Oxidation of the nickel electrode is a severe aging mechanism of solid oxide fuel cells (SOFC) and solid oxide electrolyzer cells (SOEC). This work presents a modeling study of safe operating conditions with respect to nickel oxide formation. Microkinetic reaction mechanisms for thermochemical and electrochemical nickel oxidation are integrated into a 2D multiphase model of an anode‐supported solid oxide cell. Local oxidation propensity can be separated into four regimes. Simulations show that the thermochemical pathway generally dominates the electrochemical pathway. As a consequence, as long as fuel utilization is low, cell operation considerably below electrochemical oxidation limit of 0.704 V is possible without the risk of reoxidation.
Model-based analysis of Electrochemical Pressure Impedance Spectroscopy (EPIS) for PEM Fuel Cells
(2019)
Electrochemical impedance spectroscopy (EIS) is a widely-used diagnostic technique to characterize electrochemical processes. It is based on the dynamic analysis of two electrical observables, that is, current and voltage. Electrochemical cells with gaseous reactants or products, in particular fuel cells, offer an additional observable, that is, the gas pressure. The dynamic coupling of current or voltage with gas pressure gives rise to a number of additional impedance definitions, for which we have previously introduced the term electrochemical pressure impedance spectroscopy (EPIS) [1,2]. EPIS shows a particular sensitivity towards transport processes of gas-phase or dissolved species, in particular, diffusion coefficients and transport pathway lengths. It is as such complementary to standard EIS, which is mainly sensitive towards electrochemical processes. First EPIS experiments on PEM fuel cells have recently been shown [3].
We present a detailed modeling and simulation analysis of EPIS of a PEM fuel cell. We use a 1D+1D continuum model of a fuel/air channel pair with GDL and MEA. Backpressure is dynamically varied, and the resulting simulated oscillation in cell voltage is evaluated to yield the ▁Z_( V⁄p_ca ) EPIS signal. Results are obtained for different transport situations of the fuel cell, giving rise to very complex EPIS shapes in the Nyquist plot. This complexity shows the necessity of model-based interpretation of the complex EPIS shapes. Based on the simulation results, specific features in the EPIS spectra can be assigned to different transport domains (gas channel, GDL, membrane water transport).