Modeling and Numerical Simulations I

MODERN ASPECTS OF ELECTROCHEMISTRY

No. 43

Edited by Mordechay Schlesinger

University of Windsor, Ontario, Canada

This volume contains eight chapters dealing with modeling and numeric simulations. Topics in Number 43 include:

• mathematical modeling in electrochemistry using finite element and finite difference methods by Mordechay Schlesinger

• modeling atomic systems of more than two bodies by G.W.F. Drake

• modeling impedance of porous electrodes, in order to permit optimal utilization of the active electrode material by Andrzej Lasia

• multi-scale mass transport in porous silicon gas by Peter A. Kottke, Andrei G. Fedorov and James L. Gole

• physical theory, molecular simulation, and computational electrochemistry for PEM fuel cells, with emphasis on fundamental understanding, diagnostics, and design by Michael Eikerling and Kourosh Malek

• modeling of catalyst structure degradation in PEM fuel cells by Jeremy P. Meyers

• modeling water management in PEM fuel cells by Adam Z. Weber, Ryan Balliet, Haluna P. Gunterman and John Newman

• modeling electrochemical storage devices for automotive applications by Mark W. Verbrugge

From reviews of previous volumes:

"This long-standing series continues its tradition of offering high quality reviews of established and emerging subject areas, together with the less common aspects of electrochemical science ... Deserves a place in electrochemistry libraries and should prove useful to electrochemists and related workers."

-Chemistry and Industry

"Continues the valuable service that has been rendered by the Modern Aspects series."

• Journal of Electroanalytical Chemistry

"Will definitely be of much use toresearchers in the field of electrochemistry... The editors of this well-produced volume deserve all appreciation for maintaining the excellent standard of the series."

• Bulletin of Electrochemistry

"Extremely well-referenced and very readable ... Maintains the overall high standards of the series."

• Journal of the American Chemical Society

Résumé

This volume is meant as an introductory resource aimed at practitioners of electrochemistry research, technology and development mainly at the atomic, molecular or macromolecular levels. Emphasis is placed at length scales in the 1-100 nm range.

The aim of the volume is to help provide understanding of electrochemical phenomena and materials at the nanoscale through modeling and numeric simulations. It is also designed to serve as a means to create and use structures.

Contenu
Mathematical Modeling in Electrochemistry.- High Precision Atomic Theory: Tests of Fundamental Understanding.- Modeling of Impedance of Porous Electrodes.- Multiscale Mass Transport in Porous Silicon Gas Sensors.- Electrochemical Materials for PEM Fuel Cells: Insights from Physical Theory and Simulation.- Modeling of Catalyst Structure Degradation in PEM Fuel Cells.- Modeling Water Management in Polymer-Electrolyte Fuel Cells.- Adaptive Characterization and Modeling of Electrochemical Energy Storage Devices for Hybrid Electric Vehicle Applications.