This ONR-sponsored Multidisciplinary University Research Initiative (MURI), which is led from CSM, is collaborative with Caltech and the University of Maryland. Currently in its fourth year, the project focuses on the fundamental physics and chemistry of direct electrochemical oxidation processes in solid-oxide fuel cells. The team is comprised of nine principal investigators:
Caltech: David G. Goodwin, Sossina Haile, and William Goddard, III
Univ. of Maryland: Gregory S. Jackson, Robert Walker, and Bryan Eichhorn
Technical Objectives
Our objective is to gain a fundamental understanding of DECO-through experiments and validated models. With the enhanced physiochemical understanding and the accompanying capability to simulate the underlying processes, important advances can be made in fuel-cell design, especially in anode/electrolyte microstructure. The multi-disciplinary research will accelerate fuel-cell technology development by achieving the following objectives:
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Document fundamental experimental results to quantify critical rate-limiting steps for both electro-oxidation and non-electrochemical pre-oxidation of selected fuels,
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Provide detailed membrane/electrode assembly models that quantify the influence of electrode/electrolyte microstructure, composition, and materials properties for current and potential new SOFC materials,
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Develop simulation tools, including critical chemistry and transport sub-models, for evaluating fuels and fuel blends in high performance DECO, principally in SOFC.
While our primary effort centers on SOFC, with oxygen-ion-conducting electrolytes, the fundamental modeling tools are highly relevant to high-temperature proton-conducting systems.
Technical Approach
Our technical approach is built on a strong foundation that is composed of three, closely coupled, elements. These elements blend fundamental chemistry theory, ranging from an atomic-level quantum-chemical perspective through elementary chemical kinetics, with experiments that are specifically designed to reveal essential chemical and physical process:
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Develop first-principles theory and models to represent the heterogeneous chemistry and electro-oxidation of selected hydrocarbon fuels (including oxygenated fuels) along with appropriate homogeneous reaction mechanisms. These theories are informed by and validated with experimentation.
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Develop benchmark experimental facilities for isolating and measuring chemical and electrochemical behavior of potential alternative logistic hydrocarbon fuels in high temperature fuel-cell environments, including the effects of catalyst-loaded electrode materials and new electrolyte materials. The experiments are designed carefully to isolate and elucidate specific physical and chemical processes to support the theoretical effort.
Develop chemical-transport models, which incorporate results from the theoretical and experimental efforts. These models represent the coupled interactions between the solid-phase, surface, and gas-phase processes and thus provide the necessary framework for understanding the rate-controlling phenomena that govern fuel-cell performance.
Fundamental Chemistry and Physics of Direct-Oxidation in Solid-Oxide Fuel Cells