Graph-theoretic approach to the catalytic-pathway identification of methanol decomposition

Yu Chuan Lin, L. T. Fan, Shahram Shafie, Botond Bertók, Ferenc Friedler

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

Catalytic decomposition of methanol (MD) plays a vital role in hydrogen production, which is the desirable fuel for both proton exchange membrane and direct methanol fuel cell systems. Thus, the catalytic mechanisms, or pathways, of MD have lately been the focus of research interest. Recently, the feasible independent pathways (IPis) have been reported on the basis of a set of highly plausible elementary reactions. Nevertheless, no feasible acyclic combined pathways (APis) comprising IPis have been reported. Such APis cannot be ignored in identifying dominant pathways.

Original languageEnglish
Pages (from-to)821-824
Number of pages4
JournalComputers and Chemical Engineering
Volume34
Issue number5
DOIs
Publication statusPublished - May 10 2010

Keywords

  • Acyclic combined pathways
  • Graph theory
  • Independent pathways
  • Methanol decomposition
  • Reaction pathways

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Computer Science Applications

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