Inclusion of non-isothermal effects in modeling electrochemical kinetics of contaminated pem fuel cell electrodes

Research output: Contribution to conferencePaper

Abstract

This paper reports the development of a thermodynamically optimized theoretical bridging model for a PEMFC anode and cathode reaction heterogeneous kinetics, in which specifically the anode is modeled under carbon monoxide contamination. Bridging is done by converting the numerically solved surface concentration of reactants and contaminant into their respective surface coverage using the Langmuir-Freundlich isotherm. Thermodynamically optimized kinetic rate constants are calculated using coverage-dependent activation energies and provided as input to an electrode reaction rate model developed to obtain the overpotential. The kinetic reaction model is then coupled again with three-dimensional transport equations and solved iteratively under steady state and non-isothermal conditions. Comparison is done with respect to two sets of available literature data in order to test the kinetic model validity under variation of CO concentrations and cell temperatures, in which good agreement is found. The results confirm that a Langmuir-Freundlich isotherm could be a more suitable isotherm compared to the extensively used Langmuir-only isotherm for rough heterogeneous surfaces physically found in PEMFC catalysts. The effects of temperature distribution towards contamination behavior in the cell are further explored.

Original languageEnglish
Publication statusPublished - 01 Jan 2014
Event15th International Heat Transfer Conference, IHTC 2014 - Kyoto, Japan
Duration: 10 Aug 201415 Aug 2014

Other

Other15th International Heat Transfer Conference, IHTC 2014
CountryJapan
CityKyoto
Period10/08/1415/08/14

Fingerprint

fuel cells
Isotherms
Fuel cells
isotherms
inclusions
Electrodes
reaction kinetics
Kinetics
electrodes
kinetics
Proton exchange membrane fuel cells (PEMFC)
Anodes
contamination
anodes
Contamination
cells
Reaction kinetics
Carbon monoxide
carbon monoxide
Reaction rates

All Science Journal Classification (ASJC) codes

  • Mechanical Engineering
  • Condensed Matter Physics

Cite this

Abu Hassan, S. H., & Fushinobu, K. (2014). Inclusion of non-isothermal effects in modeling electrochemical kinetics of contaminated pem fuel cell electrodes. Paper presented at 15th International Heat Transfer Conference, IHTC 2014, Kyoto, Japan.
Abu Hassan, Saiful Hasmady ; Fushinobu, K. / Inclusion of non-isothermal effects in modeling electrochemical kinetics of contaminated pem fuel cell electrodes. Paper presented at 15th International Heat Transfer Conference, IHTC 2014, Kyoto, Japan.
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Abu Hassan, SH & Fushinobu, K 2014, 'Inclusion of non-isothermal effects in modeling electrochemical kinetics of contaminated pem fuel cell electrodes' Paper presented at 15th International Heat Transfer Conference, IHTC 2014, Kyoto, Japan, 10/08/14 - 15/08/14, .

Inclusion of non-isothermal effects in modeling electrochemical kinetics of contaminated pem fuel cell electrodes. / Abu Hassan, Saiful Hasmady; Fushinobu, K.

2014. Paper presented at 15th International Heat Transfer Conference, IHTC 2014, Kyoto, Japan.

Research output: Contribution to conferencePaper

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AU - Abu Hassan, Saiful Hasmady

AU - Fushinobu, K.

PY - 2014/1/1

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N2 - This paper reports the development of a thermodynamically optimized theoretical bridging model for a PEMFC anode and cathode reaction heterogeneous kinetics, in which specifically the anode is modeled under carbon monoxide contamination. Bridging is done by converting the numerically solved surface concentration of reactants and contaminant into their respective surface coverage using the Langmuir-Freundlich isotherm. Thermodynamically optimized kinetic rate constants are calculated using coverage-dependent activation energies and provided as input to an electrode reaction rate model developed to obtain the overpotential. The kinetic reaction model is then coupled again with three-dimensional transport equations and solved iteratively under steady state and non-isothermal conditions. Comparison is done with respect to two sets of available literature data in order to test the kinetic model validity under variation of CO concentrations and cell temperatures, in which good agreement is found. The results confirm that a Langmuir-Freundlich isotherm could be a more suitable isotherm compared to the extensively used Langmuir-only isotherm for rough heterogeneous surfaces physically found in PEMFC catalysts. The effects of temperature distribution towards contamination behavior in the cell are further explored.

AB - This paper reports the development of a thermodynamically optimized theoretical bridging model for a PEMFC anode and cathode reaction heterogeneous kinetics, in which specifically the anode is modeled under carbon monoxide contamination. Bridging is done by converting the numerically solved surface concentration of reactants and contaminant into their respective surface coverage using the Langmuir-Freundlich isotherm. Thermodynamically optimized kinetic rate constants are calculated using coverage-dependent activation energies and provided as input to an electrode reaction rate model developed to obtain the overpotential. The kinetic reaction model is then coupled again with three-dimensional transport equations and solved iteratively under steady state and non-isothermal conditions. Comparison is done with respect to two sets of available literature data in order to test the kinetic model validity under variation of CO concentrations and cell temperatures, in which good agreement is found. The results confirm that a Langmuir-Freundlich isotherm could be a more suitable isotherm compared to the extensively used Langmuir-only isotherm for rough heterogeneous surfaces physically found in PEMFC catalysts. The effects of temperature distribution towards contamination behavior in the cell are further explored.

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Abu Hassan SH, Fushinobu K. Inclusion of non-isothermal effects in modeling electrochemical kinetics of contaminated pem fuel cell electrodes. 2014. Paper presented at 15th International Heat Transfer Conference, IHTC 2014, Kyoto, Japan.