@inproceedings{NeidhardtFronczekJahnkeetal., author = {Neidhardt, Jonathan Philipp and Fronczek, David Norman and Jahnke, Thomas and Danner, Timo and Horstmann, Birger and Bessler, Wolfgang G.}, title = {A Flexible Framework for Modeling Multiple Solid, Liquid and Gaseous Phases in Batteries and Fuel Cells}, series = {Journal of The Electrochemical Society}, volume = {159}, number = {9}, organization = {Electrochemical Society}, issn = {0013-4651}, doi = {10.1149/2.023209jes}, pages = {A1528 -- A1542}, abstract = {Multi-phase management is crucial for performance and durability of electrochemical cells such as batteries and fuel cells. In this paper we present a generic framework for describing the two-dimensional spatiotemporal evolution of gaseous, liquid and solid phases, as well as their interdependence with interfacial (electro-)chemistry and microstructure in a continuum description. The modeling domain consists of up to seven layers (current collectors, channels, electrodes, separator/membrane), each of which can consist of an arbitrary number of bulk phases (gas, liquid, solid) and connecting interfaces (two-phase or multi-phase boundaries). Bulk and interfacial chemistry is described using global or elementary kinetic reactions. Multi-phase management is coupled to chemistry and to mass and charge transport within bulk phases. The functionality and flexibility of this framework is demonstrated using four application areas in the context of post-lithium-ion batteries and fuel cells, that is, lithium-sulfur (Li-S) cells, lithium-oxygen (Li-O) cells, solid oxide fuel cells (SOFC) and polymer electrolyte membrane fuel cells (PEFC). The results are compared to models available in literature and properties of the generic framework are discussed.}, language = {en} } @article{FronczekBessler, author = {Fronczek, David Norman and Bessler, Wolfgang G.}, title = {Insight into lithium-sulfur batteries: Elementary kinetic modeling and impedance simulation}, series = {Journal of Power Sources}, number = {244}, doi = {10.1016/j.jpowsour.2013.02.018}, pages = {183 -- 188}, language = {en} } @article{HofmannFronczekBessler, author = {Hofmann, Andreas F. and Fronczek, David Norman and Bessler, Wolfgang G.}, title = {Mechanistic modeling of capacity loss and polysulfide shuttle in lithium-sulfur batteries}, series = {Journal of Power Sources}, volume = {259}, issn = {1873-2755}, doi = {10.1016/j.jpowsour.2014.02.082}, pages = {300 -- 310}, language = {en} }