A DFT study for the durability of perfluorosulfonic acid membrane

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

研究成果: Conference contribution

4 被引用数 (Scopus)

抄録

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.

本文言語English
ホスト出版物のタイトルECS Transactions - Proton Exchange Membrane Fuel Cells 9
ページ765-772
ページ数8
1 PART 1
DOI
出版ステータスPublished - 2009 12月 1
イベント9th Proton Exchange Membrane Fuel Cell Symposium (PEMFC 9) - 216th Meeting of the Electrochemical Society - Vienna, Austria
継続期間: 2009 10月 42009 10月 9

出版物シリーズ

名前ECS Transactions
番号1 PART 1
25
ISSN(印刷版)1938-5862
ISSN(電子版)1938-6737

Other

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

ASJC Scopus subject areas

  • 工学(全般)

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