Industrial & Engineering Chemistry Research
Industrial & Engineering Chemistry Research
5 years ago

Assessment of 1-Dimensional Catalytic Reactors Using Constrained Gibbs Free Energy Minimization Method: Water Gas Shift and Carbon Monoxide Methanation Case

Assessment of 1-Dimensional Catalytic Reactors Using Constrained Gibbs Free Energy Minimization Method: Water Gas Shift and Carbon Monoxide Methanation Case
Petteri Kangas, Eduardo J. M. Paiva, Risto Pajarre, Pertti Koukkari
Catalytic 1-dimensional reactor models were developed using the Gibbs energy minimization approach in order to describe gas composition, molar fractions, and conversions of both water gas shift and carbon monoxide methanation at low partial pressure ratios of CO/H2. The extent of reaction in terms of CO amount in the system was used as an additional constraint on the chemical system while solving the local thermodynamic equilibrium. The validity of the model was checked against experimental data gathered from the literature. The known theory about heterogeneous catalysis was incorporated in the Gibbsian multiphase analysis by means of the advancements of a diffusional limited water gas shift reaction and the catalyzed methanation of CO using virtual phases in the conservation matrix. The advantages of the use of this technique to describe a 1D catalyzed reaction, namely qualitative data regarding the chemical system and reduced ordinary differential equations (ODE) input, among others, are outlined in this report.

Publisher URL: http://dx.doi.org/10.1021/acs.iecr.7b01176

DOI: 10.1021/acs.iecr.7b01176

You might also like
Discover & Discuss Important Research

Keeping up-to-date with research can feel impossible, with papers being published faster than you'll ever be able to read them. That's where Researcher comes in: we're simplifying discovery and making important discussions happen. With over 19,000 sources, including peer-reviewed journals, preprints, blogs, universities, podcasts and Live events across 10 research areas, you'll never miss what's important to you. It's like social media, but better. Oh, and we should mention - it's free.

  • Download from Google Play
  • Download from App Store
  • Download from AppInChina

Researcher displays publicly available abstracts and doesn’t host any full article content. If the content is open access, we will direct clicks from the abstracts to the publisher website and display the PDF copy on our platform. Clicks to view the full text will be directed to the publisher website, where only users with subscriptions or access through their institution are able to view the full article.