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Title: Investigation of LSM-YSZ Composite Cathode Performance Degradation with a Multistep Charge Transfer Model

Abstract

The long-term performance degradation of LSM/YSZ composite cathodes is investigated via calibrated multiphysics simulation with a multistep oxygen reduction reaction (ORR) model and structural coarsening data from a phase field study. Multiphysics simulations, including a multistep ORR mechanism, are first developed for better understanding of the limiting processes in solid oxide fuel cells. The multistep ORR mechanism includes two parallel pathways, surface pathway and bulk pathway, which consist of elementary reaction steps. The multiphysics model is simultaneously calibrated with experimental polarization curves and impedance behavior for various air/fuel supply conditions. To our knowledge, this is the first time that a multistep ORR model is calibrated with such datasets. Next, the calibrated simulations are utilized to simulate a 2D half-cell constructed with measured microstructural data and random heterogeneity. Finally, the long-term performance degradation of the half-cell is predicted by the calibrated multiphysics model coupled with structural coarsening trends simulated using a phase field-based coarsening model. Degradation of both polarization curves and impedance behavior is investigated. Thorough analyses, including changes of contributions from different pathways, the resistance components, and overall reaction order, are performed to provide more insights into cathode performance degradation due to grain coarsening phenomena.

Authors:
ORCiD logo [1];  [2]; ORCiD logo [1]; ORCiD logo [3];  [2];  [4];  [5];  [4];  [2];  [2];  [2];  [5]
+ Show Author Affiliations
  1. National Energy Technology Lab. (NETL), Morgantown, WV (United States); Oak Ridge Inst. for Science and Education (ORISE), Oak Ridge, TN (United States)
  2. National Energy Technology Lab. (NETL), Morgantown, WV (United States); Leidos Research Support Team, Pittsburgh, PA (United States)
  3. West Virginia Univ., Morgantown, WV (United States)
  4. National Energy Technology Lab. (NETL), Morgantown, WV (United States); West Virginia Univ., Morgantown, WV (United States)
  5. National Energy Technology Lab. (NETL), Morgantown, WV (United States)
Publication Date:
Research Org.:
National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV, and Albany, OR (United States)
Sponsoring Org.:
USDOE Office of Fossil Energy (FE)
OSTI Identifier:
1571267
Report Number(s):
NETL-PUB-22157
Journal ID: ISSN 0013-4651
Grant/Contract Number:  
89243318CFE000003
Resource Type:
Accepted Manuscript
Journal Name:
Journal of the Electrochemical Society
Additional Journal Information:
Journal Volume: 166; Journal Issue: 8; Journal ID: ISSN 0013-4651
Publisher:
The Electrochemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Yang, Tao, Liu, Jian, Lei, Yinkai, Li, Wenyuan, Cheng, Tian-Le, Finklea, Harry, Wen, You-Hai, Liu, Xingbo, Abernathy, Harry W., Lee, Shiwoo, Kalapos, Thomas L., and Hackett, Gregory A. Investigation of LSM-YSZ Composite Cathode Performance Degradation with a Multistep Charge Transfer Model. United States: N. p., 2019. Web. doi:10.1149/2.0311908jes.
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Yang, Tao, Liu, Jian, Lei, Yinkai, Li, Wenyuan, Cheng, Tian-Le, Finklea, Harry, Wen, You-Hai, Liu, Xingbo, Abernathy, Harry W., Lee, Shiwoo, Kalapos, Thomas L., & Hackett, Gregory A. Investigation of LSM-YSZ Composite Cathode Performance Degradation with a Multistep Charge Transfer Model. United States. https://doi.org/10.1149/2.0311908jes
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Yang, Tao, Liu, Jian, Lei, Yinkai, Li, Wenyuan, Cheng, Tian-Le, Finklea, Harry, Wen, You-Hai, Liu, Xingbo, Abernathy, Harry W., Lee, Shiwoo, Kalapos, Thomas L., and Hackett, Gregory A. Tue . "Investigation of LSM-YSZ Composite Cathode Performance Degradation with a Multistep Charge Transfer Model". United States. https://doi.org/10.1149/2.0311908jes. https://www.osti.gov/servlets/purl/1571267.
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@article{osti_1571267,
title = {Investigation of LSM-YSZ Composite Cathode Performance Degradation with a Multistep Charge Transfer Model},
author = {Yang, Tao and Liu, Jian and Lei, Yinkai and Li, Wenyuan and Cheng, Tian-Le and Finklea, Harry and Wen, You-Hai and Liu, Xingbo and Abernathy, Harry W. and Lee, Shiwoo and Kalapos, Thomas L. and Hackett, Gregory A.},
abstractNote = {The long-term performance degradation of LSM/YSZ composite cathodes is investigated via calibrated multiphysics simulation with a multistep oxygen reduction reaction (ORR) model and structural coarsening data from a phase field study. Multiphysics simulations, including a multistep ORR mechanism, are first developed for better understanding of the limiting processes in solid oxide fuel cells. The multistep ORR mechanism includes two parallel pathways, surface pathway and bulk pathway, which consist of elementary reaction steps. The multiphysics model is simultaneously calibrated with experimental polarization curves and impedance behavior for various air/fuel supply conditions. To our knowledge, this is the first time that a multistep ORR model is calibrated with such datasets. Next, the calibrated simulations are utilized to simulate a 2D half-cell constructed with measured microstructural data and random heterogeneity. Finally, the long-term performance degradation of the half-cell is predicted by the calibrated multiphysics model coupled with structural coarsening trends simulated using a phase field-based coarsening model. Degradation of both polarization curves and impedance behavior is investigated. Thorough analyses, including changes of contributions from different pathways, the resistance components, and overall reaction order, are performed to provide more insights into cathode performance degradation due to grain coarsening phenomena.},
doi = {10.1149/2.0311908jes},
journal = {Journal of the Electrochemical Society},
number = 8,
volume = 166,
place = {United States},
year = {Tue Apr 23 00:00:00 EDT 2019},
month = {Tue Apr 23 00:00:00 EDT 2019}
}
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Journal Article:
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Publisher's Version of Record
https://doi.org/10.1149/2.0311908jes
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Cited by: 7 works
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Figures / Tables:

Table I Table I: Tuned ORR model parameters (rate constants π‘˜ and π‘˜βˆ’) in the calibration of multiphysics simulation with multistep ORR model. The other parameters can be found in the previous study.
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    Works referencing / citing this record:

    Influence of the Solid-Electrolyte Ionic Material in a Potentiometric Sensor for Ethylene Detection
    journal, January 2019

    • Toldra-Reig, Fidel; Pastor, Daniel; Serra, Jose M.
    • Journal of The Electrochemical Society, Vol. 166, Issue 14
    • DOI: 10.1149/2.1171914jes
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      Table I (p. 26)table
      Figure 1 (p. 28)figure
      Figure 2 (p. 29)figure
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      Figure 6 (p. 33)figure
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