Generation of light hydrocarbons through Fischer-Tropsch synthesis

Identification of potentially dominant catalytic pathways via the graph-theoretic method and energetic analysis

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

Research output: Contribution to journalArticle

30 Citations (Scopus)

Abstract

The Fischer-Tropsch synthesis (FTS) for the production of widely distributed hydrocarbons through the catalytic hydrogenation of carbon monoxide (CO) has been intensively and extensively explored. This is attributable to its immense theoretical as well as practical importance. Naturally, such exploration would be greatly facilitated if the feasible or dominant catalytic pathways (mechanisms) of FTS can be determined. The stoichiometrically feasible and independent catalytic pathways (IPi's) of FTS have been exhaustively identified via the rigorous graph-theoretic method based on P-graphs (process graphs). The most extensive set of elementary reactions available, which numbers 26, has yielded 24 IPi's in less than 1 s on a PC. The plausibly dominant pathways have been selected from the stoichiometrically feasible pathways through the analysis of their activation energies. Naturally, the dominant pathway or pathways need ultimately be discriminated among these plausibly dominant pathways via various means, e.g., in situ spectroscopic measurements of intermediates.

Original languageEnglish
Pages (from-to)1182-1186
Number of pages5
JournalComputers and Chemical Engineering
Volume33
Issue number6
DOIs
Publication statusPublished - 2009 Jun 16

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Fischer-Tropsch synthesis
Hydrocarbons
Carbon Monoxide
Carbon monoxide
Hydrogenation
Activation energy

All Science Journal Classification (ASJC) codes

  • Chemical Engineering(all)
  • Computer Science Applications

Cite this

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Generation of light hydrocarbons through Fischer-Tropsch synthesis : Identification of potentially dominant catalytic pathways via the graph-theoretic method and energetic analysis. / Lin, Yu-Chuan; Fan, L. T.; Shafie, Shahram; Bertók, Botond; Friedler, Ferenc.

In: Computers and Chemical Engineering, Vol. 33, No. 6, 16.06.2009, p. 1182-1186.

Research output: Contribution to journalArticle

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