Polymer electrolyte fuel cell simulation

Wang, G., Mukherjee, P P, and Wang, C. Y. Optimization of polymer electrolyte fuel cell cathode catalyst layers via direct numerical simulation modeling. Electrochimica Acta 2007 52 6367-6377. 

Okada, T., Xie, G. and Meeg, M. 1998. Simulation for water management in membranes for polymer electrolyte fuel cells. Electrochimica Acta 43 2141-2155. 

H. Nakajima, T. Konomi, and T. Kitahara. Direct water balance analysis on a polymer electrolyte fuel cell (PEFC) Effects of hydrophobic treatment and microporous layer addition to the gas diffusion layer of a PEFC on its performance during a simulated start-up operation. Journal of Power Sources 171 (2007) 457-463. 

H. Dohle, R. Jung, N. Kimiaie, J. Mergel, and M. Muller. Interaction between the diffusion layer and the flow field of polymer electrolyte fuel cells—Experiments and simulation studies. Journal of Power Sources 124 (2003) 371-384. 

Masuda, H., Ito, K., Kakimoto, Y., Miyazaki, T., Ashikaga, K. and Sasaki, K., (2006) Numerical simulation of two-phase flow and transient response in polymer electrolyte fuel cell, in Proceedings of FUELCELL2006, The 4th International Conference on Fuel Cell Science Engineering and Technology, Irvine, CA, June 19-21. 

Direct simulation of polymer electrolyte fuel cell catalyst layers, presentation of a systematic development of the direct numerical simulation... 

Figure 5.31. Simulation results of the impedance spectra at different current densities [34], (Reprinted from Journal of Electroanalytical Chemistry, 475, Eikerling M, Komyshev AA. Electrochemical impedance of the cathode catalyst layer in polymer electrolyte fuel cells, 107-23, 1999, with permission from Elsevier.)...

Hartnig, C., and Schmidt, T.J. (2011) Simulated start-stop as a rapid aging tool for polymer electrolyte fuel cell electrodes. J. Power Sources, 196,... 

X. (2010) Stochastic modeling and direct numerical simulation of the diffusion media for polymer electrolyte fuel cells. Int.J. Heat Mass Tranfer, 53, 1128-1138. 

Y., and Minemoto, M. (2008) Development of simulated gas diffusion layer of polymer electrolyte fuel cells and evaluation of its structure. J. Power Sources, 175, 145-158. 

Mukherjee, P.P. and Wang, C.Y. (2007) Direct numerical simulation modeling of bilayer cathode catalyst layers in polymer electrolyte fuel cells. /. Electrochem. Soc., 154(11), B1121-B1131. 

Wang, Y. and Wang, C.Y. (2005) Simulations of flow and transport phenomena in a polymer electrolyte fuel cell under low-humidity operations. J. Power Source, 147, 148. 

It should be kept in mind that conventional AIMD simulation techniques, both BOMD and CPMD, are not able to describe all types of dynamics encountered in chemistry. One thing they lack is an ability to handle dynamics that can only be explained with frill quantum mechanics. Proton tunneling and ion dispersion, for example, are purely quantum effects that can play a fundamentally important role in biological systems, in polymer electrolyte fuel cells, and in many other water-containing systems. In fact, the commonly accepted mobility mechanism is the so-called stmctural diffusion or Grotthuss mechanism, in which solvation stmctures diffuse through the hydrogen bond network via sequential proton transfer reactions. 

Bevers D, Wohr M, Yasuda K, Oguro K. Simulation of a polymer electrolyte fuel cell electrode. J Appl Electrochem 1997 27 1254-64. 

J.-T. Wang, R. Savinell, 1992. Simulation studies on the fuel electrode of a H2-O2 polymer electrolyte fuel cell. Electrochimica Acta, 37 2737-2745. 

Akey performance limitation in the polymer electrolyte fuel cell (PEFC) originates from the multiple, coupled and competing, transport interactions in the constituent porous components. The suboptimal transport behavior resulting from the underlying complex and multifunctional microstmctures in the catalyst layer (CL), gas diffusion layer (GDL) and microporous layer (MPL) leads to water and thermal management issues and undesirable performance loss. Therefore, it is imperative to understand the profoimd influence of the disparate porous microstmctures on the transport characteristics. In this chapter, we highhght the stochastic microstmcture reconstmction technique and direct transport simulation in the CL, GDL and MPL porous stmctmes in order to estimate the effective transport properties and imderstand the microstmctural impact on the imderlying transport behavior in the PEFC. 

SIMULATION OF CORROSIVE DISSOLUTION OF PT BINARY NANOCLUSTER IN ACID ENVIRONMENT OF POLYMER ELECTROLYTE MEMBRANE (PEM) FUEL CELLS... 

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