Detailed kinetic modeling of methanol synthesis over a ternary copper catalyst

Maximilian Peter, Matthias B. Fichtl, Holger Ruland, Stefan Kaluza, Martin Muhler, Olaf Hinrichsen

Research output: Contribution to journalArticlepeer-review

53 Scopus citations

Abstract

Three differently detailed kinetic models for methanol synthesis are derived for experimental data measured over a ternary copper catalyst. Two global reactor models for reaction design, including a power law and a Langmuir-Hinshelwood-Hougen-Watson approach, are presented. In addition a microkinetic model is adapted to describe the whole experimental data and is used to discuss dynamical changes occurring during methanol synthesis. The first global model based on power law kinetics is very precisely in predicting the integral rates of methanol production. The power law requires the inclusion of a water inhibition term to be applicable over the whole range of experiments. A semi-empirical Langmuir-Hinshelwood-Hougen-Watson model, taken from the literature, gives essentially the same results, even upon extrapolation. The third model, a microkinetic model, was successfully fitted with only two variables and is in reasonable agreement with the experimental data. For all models a sensitivity analysis shows the influencing parameters on the methanol production rate. The valid microkinetic model, however, can give qualitative estimations of the structure sensitivity and dynamic behavior of methanol synthesis. The dynamic change of active sites and of site distribution of different copper low-index planes along the reactor length is given and the inhibiting role of water, indicated by the power law and microkinetic model, is analyzed.

Original languageEnglish
Pages (from-to)480-491
Number of pages12
JournalChemical Engineering Journal
Volume203
DOIs
StatePublished - 1 Sep 2012

Keywords

  • Cu/ZnO/AlO catalyst
  • Dynamic behavior
  • Methanol synthesis
  • Microkinetics
  • Modeling
  • Morphology changes
  • Sensitivity analysis

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