Title:
Modeling, simulation, and rational design of porous solid oxide fuel cell cathodes

dc.contributor.advisor Liu, Meilin
dc.contributor.author Lynch, Matthew Earl en_US
dc.contributor.committeeMember Gokhale, Arun M.
dc.contributor.committeeMember David McDowell
dc.contributor.committeeMember Hamid Garmestani
dc.contributor.committeeMember Tom Fuller
dc.contributor.committeeMember Yingjie Liu
dc.contributor.department Materials Science and Engineering en_US
dc.date.accessioned 2013-01-17T21:48:34Z
dc.date.available 2013-01-17T21:48:34Z
dc.date.issued 2011-10-11 en_US
dc.description.abstract This thesis details research performed in modeling, simulation, and rational design of porous SOFC cathodes via development, extension, and use of the key tools to aid in the fundamental understanding and engineering design of cathode materials. Phenomenological modeling of triple phase boundary (TPB) reactions and surface transport on La₁₋ₓSrₓMnO₃ (LSM) was conducted, providing insight into the role of the bulk versus surface oxygen reduction pathway and the role of sheet resistance in thin-film patterned electrode measurements. In response to observation of sheet resistance deactivation, a modeling study was conducted to design thin-film patterned electrodes with respect to sheet resistance. Additionally, this thesis outlines the application of phenomenological chemical kinetics to describe and explain the performance and stability enhancements resulting from surface modification of La₁₋ₓSrₓCo₁₋yFeyO₃₋delta (LSCF) with a conformal LSM coating. The analysis was performed in close coordination with electrochemical experiments and transmission electron microscopy. Finally, the thesis describes conformal modeling of porous cathode microstructures using chemical kinetics and transport models. A novel application of conservative point defect ensembles was developed to allow simulations with complicated chemical surface kinetics to be efficiently coupled with bulk transport within the porous structure. The finite element method was employed to simulate electrochemical response conformal to sintered porous ceramic structures using actual 3D microstructural reconstructions obtained using x-ray microtomography. Mesh refinement, linear, and nonlinear reaction rate kinetics were employed to study the bulk versus surface oxygen reduction pathways and the effect of near-TPB nanostructure. en_US
dc.description.degree PhD en_US
dc.identifier.uri http://hdl.handle.net/1853/45852
dc.publisher Georgia Institute of Technology en_US
dc.subject Finite element en_US
dc.subject Rational design en_US
dc.subject Electrochemistry en_US
dc.subject Solid oxide fuel cell en_US
dc.subject SOFC en_US
dc.subject Mixed conductor en_US
dc.subject Conservative point defect ensemble en_US
dc.subject Cathode en_US
dc.subject.lcsh Solid oxide fuel cells
dc.subject.lcsh Energy development
dc.subject.lcsh Energy development Technological innovations
dc.title Modeling, simulation, and rational design of porous solid oxide fuel cell cathodes en_US
dc.type Text
dc.type.genre Dissertation
dspace.entity.type Publication
local.contributor.advisor Liu, Meilin
local.contributor.corporatename School of Materials Science and Engineering
local.contributor.corporatename College of Engineering
relation.isAdvisorOfPublication 30dd1bbc-edf1-406a-9183-d985863cbab3
relation.isOrgUnitOfPublication 21b5a45b-0b8a-4b69-a36b-6556f8426a35
relation.isOrgUnitOfPublication 7c022d60-21d5-497c-b552-95e489a06569
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