A DFT study for the durability of perfluorosulfonic acid membrane

T. Tokumasu, I. Ogawa, M. Koyoma, T. Ishimoto, A. Miyamoto

Research output: Chapter in Book/Report/Conference proceedingConference contribution

4 Citations (Scopus)

Abstract

Durability of perfluorosulfonic acid (PFSA) membrane is an important factor to improve the lifetime of PEFC. In this study the bond dissociation energy of PFSA molecule was investigated by quantum chemistry method to provide basic information for designing more durable PFSA membrane. Nafion® was used as a PFSA molecule. All calculations were performed by DMol3. Chemical bond strengths of PFSA molecule were analyzed exhaustively. The vulnerable bond was identified by comparing the results. The same calculations were performed for ionized PFSA molecule to find out the influence of the ionization state on the bond strength. Moreover, the possibility for improving durability of PFSA membrane was investigated by substituting H atoms or CH3 groups for a part of F atoms.

Original languageEnglish
Title of host publicationECS Transactions - Proton Exchange Membrane Fuel Cells 9
Pages765-772
Number of pages8
Edition1 PART 1
DOIs
Publication statusPublished - 2009 Dec 1
Event9th Proton Exchange Membrane Fuel Cell Symposium (PEMFC 9) - 216th Meeting of the Electrochemical Society - Vienna, Austria
Duration: 2009 Oct 42009 Oct 9

Publication series

NameECS Transactions
Number1 PART 1
Volume25
ISSN (Print)1938-5862
ISSN (Electronic)1938-6737

Other

Other9th Proton Exchange Membrane Fuel Cell Symposium (PEMFC 9) - 216th Meeting of the Electrochemical Society
Country/TerritoryAustria
CityVienna
Period09/10/409/10/9

ASJC Scopus subject areas

  • Engineering(all)

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