Separation of CO2/CH4 mixtures over NH2-MIL-53-An experimental and modelling study

Pablo Serra-Crespo*, Rob Berger, Wenping Yang, Jorge Gascon Sabate, Freek Kapteijn

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

31 Scopus citations


A combined experimental and simulation study for the separation of carbon dioxide and methane mixtures using NH2-MIL-53(Al) as adsorbent is presented. A fixed-bed model has been applied to simulate binary breakthrough experiments obtained in small lab-scale equipment (10cm column, 1/4″ in diameter, 800mg sample). A mixed Langmuir/Langmuir-Freundlich isotherm is used to capture the temperature dependence of the two-step isotherm and a linear driving force model to capture diffusion in the MOF crystals. The model is able to describe the experimental breakthrough data at 273K over a pressure range of 1 to 20bar. Displacement of methane by carbon dioxide, a large apparent roll-up effect, heats of adsorption and dispersion phenomena have been quantified taking into account post-column volumes often present in lab-scale equipment. The heat effects result in a maximum local temperature rise up to 20K.

Original languageEnglish (US)
Pages (from-to)96-108
Number of pages13
StatePublished - Mar 3 2015


  • Breakthrough
  • Carbon dioxide separation
  • Gas separation
  • MIL-53
  • MOFs
  • Modelling

ASJC Scopus subject areas

  • General Chemistry
  • General Chemical Engineering
  • Industrial and Manufacturing Engineering


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