Criteria for chemical equilibrium with application to methane steam reforming

Y. Haseli

Research output: Contribution to journalArticlepeer-review

12 Scopus citations

Abstract

A literature survey reveals significant inaccuracy of the prediction of equilibrium models. A thermodynamic analysis is presented to show that the equilibrium calculations rest on a critical assumption of reversible heat exchange between a reactive system and its surrounding. Indeed, a correct application of the energy conservation and entropy balance equation leads to a modified Gibbs function. Minimization of the modified Gibbs function happens to be identical to maximization of the total entropy generation. The actual chemical equilibrium is shown through a methane steam reforming, as an illustrative example, to be correctly predicted by kinetic modeling. The state of chemical equilibrium does not necessarily correspond to maximum entropy generation. Once a chemical equilibrium has been established, both the total entropy generation and the modified Gibbs function remain unaltered and independent of time.

Original languageEnglish
Pages (from-to)5766-5772
Number of pages7
JournalInternational Journal of Hydrogen Energy
Volume44
Issue number12
DOIs
StatePublished - Mar 1 2019

Keywords

  • Chemical equilibrium
  • Entropy generation
  • Kinetic model
  • Modified gibbs energy
  • Steam reforming

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