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Title: Analytical transport network theory to guide the design of 3-D microstructural networks in energy materials: Part 2. Flow with reactions

Abstract

Here we extend the fully analytical, heuristic “Analytical Transport Network Model” for steady-state, diffusive flow in a 3-D network to account for surface reactions. In the limit of negligible reactions, the model reduces to the conserved flow solution. The extension does not increase the time required to run the model, which in Part 1 was shown to be 0.5–1.5 and 5–6 orders of magnitude faster than electrochemical fin (ECF) theory and finite element analysis (FEA) for conserved flow, respectively. The model is compared to reacting-flow ECF and FEA as well as to experiments and is demonstrated as a potentially useful heuristic for understanding the influence of morphology and topology on reactive-diffusive flow through a 3-D microstructural network.

Authors:
 [1];  [2]
  1. University of Connecticut, Storrs, CT (United States); Army Research Laboratory, Adelphi, MD (United States)
  2. University of Connecticut, Storrs, CT (United States)
Publication Date:
Research Org.:
Clemson Univ., SC (United States); Univ. of Connecticut, Storrs, CT (United States)
Sponsoring Org.:
USDOE Office of Nuclear Energy (NE), Nuclear Energy University Program (NEUP); Army Research Office (ARO); Army Research Laboratory (ARL); USDOE
OSTI Identifier:
1538526
Alternate Identifier(s):
OSTI ID: 1549111
Grant/Contract Number:  
NE0008260; W911NF-14-1-0298; W911NF-17-2-0038
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Power Sources
Additional Journal Information:
Journal Volume: 372; Journal Issue: C; Journal ID: ISSN 0378-7753
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; network theory; graph theory; transport network; reactions; three-dimensional; electrochemical energy materials; microstructure

Citation Formats

Cocco, Alex P., and Chiu, Wilson K.S. Analytical transport network theory to guide the design of 3-D microstructural networks in energy materials: Part 2. Flow with reactions. United States: N. p., 2017. Web. doi:10.1016/j.jpowsour.2017.10.053.
Cocco, Alex P., & Chiu, Wilson K.S. Analytical transport network theory to guide the design of 3-D microstructural networks in energy materials: Part 2. Flow with reactions. United States. https://doi.org/10.1016/j.jpowsour.2017.10.053
Cocco, Alex P., and Chiu, Wilson K.S. Wed . "Analytical transport network theory to guide the design of 3-D microstructural networks in energy materials: Part 2. Flow with reactions". United States. https://doi.org/10.1016/j.jpowsour.2017.10.053. https://www.osti.gov/servlets/purl/1538526.
@article{osti_1538526,
title = {Analytical transport network theory to guide the design of 3-D microstructural networks in energy materials: Part 2. Flow with reactions},
author = {Cocco, Alex P. and Chiu, Wilson K.S.},
abstractNote = {Here we extend the fully analytical, heuristic “Analytical Transport Network Model” for steady-state, diffusive flow in a 3-D network to account for surface reactions. In the limit of negligible reactions, the model reduces to the conserved flow solution. The extension does not increase the time required to run the model, which in Part 1 was shown to be 0.5–1.5 and 5–6 orders of magnitude faster than electrochemical fin (ECF) theory and finite element analysis (FEA) for conserved flow, respectively. The model is compared to reacting-flow ECF and FEA as well as to experiments and is demonstrated as a potentially useful heuristic for understanding the influence of morphology and topology on reactive-diffusive flow through a 3-D microstructural network.},
doi = {10.1016/j.jpowsour.2017.10.053},
journal = {Journal of Power Sources},
number = C,
volume = 372,
place = {United States},
year = {2017},
month = {11}
}

Journal Article:

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Cited by: 4 works
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Works referenced in this record:

Analytical investigations of varying cross section microstructures on charge transfer in solid oxide fuel cell electrodes
journal, May 2011


OpenPNM: A Pore Network Modeling Package
journal, July 2016

  • Gostick, Jeff; Aghighi, Mahmoudreza; Hinebaugh, James
  • Computing in Science & Engineering, Vol. 18, Issue 4
  • DOI: 10.1109/MCSE.2016.49

Synthesis and characterization of Mo-doped SrFeO3−δ as cathode materials for solid oxide fuel cells
journal, March 2012


The morphological evolution of dendritic microstructures during coarsening
journal, April 2006


Sr2Fe1.5Mo0.5O6 as Cathodes for Intermediate-Temperature Solid Oxide Fuel Cells with La0.8Sr0.2Ga0.87Mg0.13O3 Electrolyte
journal, January 2011

  • Xiao, Guoliang; Liu, Qiang; Zhao, Fei
  • Journal of The Electrochemical Society, Vol. 158, Issue 5
  • DOI: 10.1149/1.3556085

Reaction Route Graphs. II. Examples of Enzyme- and Surface-Catalyzed Single Overall Reactions
journal, April 2004

  • Fishtik, Ilie; Callaghan, Caitlin A.; Datta, Ravindra
  • The Journal of Physical Chemistry B, Vol. 108, Issue 18
  • DOI: 10.1021/jp037401w

Universality and self-similarity in pinch-off of rods by bulk diffusion
journal, August 2010

  • Aagesen, Larry K.; Johnson, Anthony E.; Fife, Julie L.
  • Nature Physics, Vol. 6, Issue 10
  • DOI: 10.1038/nphys1737

Reaction Route Graphs. III. Non-Minimal Kinetic Mechanisms
journal, February 2005

  • Fishtik, Ilie; Callaghan, Caitlin A.; Datta, Ravindra
  • The Journal of Physical Chemistry B, Vol. 109, Issue 7
  • DOI: 10.1021/jp046115x

Universal pinch off of rods by capillarity-driven surface diffusion
journal, June 1998


Reaction Route Graphs. I. Theory and Algorithm
journal, April 2004

  • Fishtik, Ilie; Callaghan, Caitlin A.; Datta, Ravindra
  • The Journal of Physical Chemistry B, Vol. 108, Issue 18
  • DOI: 10.1021/jp0374004

Modeling graphite anodes with serial and transmission line models
journal, May 2015


Analytical solutions for extended surface electrochemical fin models
journal, November 2014


A rapid analytical assessment tool for three dimensional electrode microstructural networks with geometric sensitivity
journal, January 2014


Minimizing Effective Resistance of a Graph
journal, January 2008

  • Ghosh, Arpita; Boyd, Stephen; Saberi, Amin
  • SIAM Review, Vol. 50, Issue 1
  • DOI: 10.1137/050645452

The morphological evolution of equiaxed dendritic microstructures during coarsening
journal, May 2009


Morphological and topological analysis of coarsened nanoporous gold by x-ray nanotomography
journal, January 2010

  • Chen, Yu-chen Karen; Chu, Yong S.; Yi, JaeMock
  • Applied Physics Letters, Vol. 96, Issue 4
  • DOI: 10.1063/1.3285175

A Novel Electrode Material for Symmetrical SOFCs
journal, October 2010

  • Liu, Qiang; Dong, Xihui; Xiao, Guoliang
  • Advanced Materials, Vol. 22, Issue 48, p. 5478-5482
  • DOI: 10.1002/adma.201001044