Influence of catalyst structure on PEM fuel cell performance – A numerical investigation

Abstract The effect of the catalyst microstructure on a 5 cm2 PEM fuel cell performance is numerically investigated. The catalyst layer composition and properties (i.e. ionomer volume fraction, platinum loading, particle radius, electrochemical active area and carbon support type), and the mass transport resistance due to the ionomer and liquid water surrounding the catalyst particles, are incorporated into the model. The effects of the above parameters are discussed in terms of the polarization curves and the local distributions of the key parameters. An optimum range of the ionomer volume fraction was found and a gain of 39% in the performance was achieved. As regards the platinum loading and catalyst particle radius, the results showed that a higher loading and a smaller radius leads to an increase in the PEMFC performance. Further, the influence of the electrochemical active area produces an overall increase of 22% in current density and this was due to the use of a new material developed as support for Pt particles, an iodine doped graphene, which has better electrical contacts and additional pathways for water removal. Using this parameter, the numerical model has been validated and good agreement with experimental data was achieved, thus giving confidence in the model as a design tool for future improvements of the catalyst structure.

[1]  Nada Zamel,et al.  The catalyst layer and its dimensionality – A look into its ingredients and how to characterize their effects , 2016 .

[2]  Ned Djilali,et al.  CFD-based modelling of proton exchange membrane fuel cells , 2005 .

[3]  S. Litster,et al.  Effects of an agglomerate size distribution on the PEFC agglomerate model , 2012 .

[4]  Hyung-Man Kim,et al.  An experimental study on the enhancement of the water balance, electrochemical reaction and power density of the polymer electrolyte fuel cell by under-rib convection , 2011 .

[5]  Hideyuki Tsuboi,et al.  Ionomer content in the catalyst layer of polymer electrolyte membrane fuel cell (PEMFC): Effects on , 2011 .

[6]  Liang Hao,et al.  Modeling and Experimental Validation of Pt Loading and Electrode Composition Effects in PEM Fuel Cells , 2015 .

[7]  S. A. Gürsel,et al.  Comparison of two different catalyst preparation methods for graphene nanoplatelets supported platinum catalysts , 2016 .

[8]  Minhua Shao,et al.  Electrocatalysis on platinum nanoparticles: particle size effect on oxygen reduction reaction activity. , 2011, Nano letters.

[9]  K. Kinoshita,et al.  Particle Size Effects for Oxygen Reduction on Highly Dispersed Platinum in Acid Electrolytes , 1990 .

[10]  A. Marinoiu,et al.  Graphene-based Materials Used as the Catalyst Support for PEMFC Applications , 2015 .

[11]  Sandip Mazumder,et al.  Numerical investigation of the effect of cathode catalyst layer structure and composition on polymer electrolyte membrane fuel cell performance , 2008 .

[12]  K. Scott,et al.  Analysis of the kinetics of methanol oxidation in a porous Pt–Ru anode , 2010 .

[13]  Ned Djilali,et al.  A 3D, Multiphase, Multicomponent Model of the Cathode and Anode of a PEM Fuel Cell , 2003 .

[14]  S. Kaliaguine,et al.  Impact of Ionomer Content on Proton Exchange Membrane Fuel Cell Performance , 2016 .

[15]  A. Mendes,et al.  Polyol synthesis of reduced graphene oxide supported platinum electrocatalysts for fuel cells: Effect of Pt precursor, support oxidation level and pH , 2018, International Journal of Hydrogen Energy.

[16]  E. Antolini.  Carbon supports for low-temperature fuel cell catalysts , 2009 .

[17]  G. Squadrito,et al.  Nafion content in the catalyst layer of polymer electrolyte fuel cells: effects on structure and performance , 2001 .

[18]  Won-Yong Lee,et al.  Effect of pore structure of catalyst layer in a PEMFC on its performance , 2003 .

[19]  Chao-Yang Wang,et al.  Fundamental models for fuel cell engineering. , 2004, Chemical reviews.

[20]  J. Yi,et al.  Fabrication of a mesoporous Pt-carbon catalyst by the direct templating of mesoporous Pt-alumina for the methanol electro-oxidation , 2006 .

[21]  Wenbin Gu,et al.  Impact of Platinum Loading and Catalyst Layer Structure on PEMFC Performance , 2012 .

[22]  Jason J. Boisvert,et al.  Understanding the Effect of Kinetic and Mass Transport Processes in Cathode Agglomerates , 2014 .

[23]  Thomas F. Fuller,et al.  Experimental Determination of the Transport Number of Water in Nafion 117 Membrane , 1992 .

[24]  M. Kermani,et al.  A parametric study of cathode catalyst layer structural parameters on the performance of a PEM fuel cell , 2010 .

[25]  A. Marinoiu,et al.  Iodinated carbon materials for oxygen reduction reaction in proton exchange membrane fuel cell. Scalable synthesis and electrochemical performances , 2016, Arabian Journal of Chemistry.

[26]  Hongtan Liu,et al.  A parametric study of the cathode catalyst layer of PEM fuel cells using a pseudo-homogeneous model , 2001 .

[27]  Li Xu,et al.  The effect of Pt/C agglomerates in electrode on PEMFC performance using 3D micro-structure lattice models , 2017 .

[28]  Marius Enachescu,et al.  Low cost iodine doped graphene for fuel cell electrodes , 2017 .

[29]  Dustin Banham,et al.  Novel Mesoporous Carbon Supports for PEMFC Catalysts , 2015 .

[30]  Jianbo Zhang,et al.  Review of characterization and modeling of polymer electrolyte fuel cell catalyst layer: The blessing and curse of ionomer , 2017 .

[31]  Mark K. Debe,et al.  Electrocatalyst approaches and challenges for automotive fuel cells , 2012, Nature.

[32]  Ahmet Kusoglu,et al.  A Critical Review of Modeling Transport Phenomena in Polymer-Electrolyte Fuel Cells , 2014 .

[33]  Seongho Park,et al.  Dynamic simulations of under-rib convection-driven flow-field configurations and comparison with experiment in polymer electrolyte membrane fuel cells , 2015 .

[34]  Marc-Olivier Coppens,et al.  Achieving ultra-high platinum utilization via optimization of PEM fuel cell cathode catalyst layer microstructure , 2013 .

[35]  K. Scott,et al.  Numerical investigation of the optimal Nafion® ionomer content in cathode catalyst layer: An agglomerate two-phase flow modelling , 2014 .

[36]  P. Stonehart,et al.  Electro-catalytic Activity on Supported Platinum Crystallites for Oxygen Reduction in Sulphuric Acid , 1988 .

[37]  Jon G. Pharoah,et al.  A comparison of different approaches to modelling the PEMFC catalyst layer , 2008 .

[38]  Elena Carcadea,et al.  Low cost iodine intercalated graphene for fuel cells electrodes , 2017 .

[39]  E. Alper,et al.  Numerical assessment of dependence of polymer electrolyte membrane fuel cell performance on cathode catalyst layer parameters , 2011 .

[40]  Chao-Yang Wang,et al.  Computational Fluid Dynamics Modeling of Proton Exchange Membrane Fuel Cells , 2000 .

[41]  Dang Sheng Su,et al.  Effect of particle size on the activity and durability of the Pt/C electrocatalyst for proton exchange membrane fuel cells , 2012 .

[42]  T. Navessin,et al.  PEMFC catalyst layers: the role of micropores and mesopores on water sorption and fuel cell activity. , 2011, ACS applied materials & interfaces.

[43]  Keith Promislow,et al.  The effects of water and microstructure on the performance of polymer electrolyte fuel cells , 2006 .

[44]  R. Darling.  A Hierarchical Model for Oxygen Transport in Agglomerates in the Cathode Catalyst Layer of a Polymer-Electrolyte Fuel Cell , 2018 .

[45]  Michael Eikerling,et al.  Microstructure of Catalyst Layers in PEM Fuel Cells Redefined: A Computational Approach , 2011 .

[46]  D. Ingham,et al.  The effects of cathode flow channel size and operating conditions on PEM fuel performance: A CFD modelling study and experimental demonstration , 2018 .

[47]  M. Peuckert,et al.  Oxygen Reduction on Small Supported Platinum Particles , 1986 .

[48]  Minjin Kim,et al.  PEMFC modeling based on characterization of effective diffusivity in simulated cathode catalyst layer , 2017 .

[49]  D. Ingham,et al.  Effects of catalyst agglomerate shape in polymer electrolyte fuel cells investigated by a multi-scale modelling framework , 2017 .

[50]  Xianguo Li,et al.  A three-dimensional agglomerate model for the cathode catalyst layer of PEM fuel cells , 2008 .