Process-based screening of porous materials for vacuum swing adsorption based on 1D classical density functional theory and PC-SAFT
2025

Screening Porous Materials for Carbon Capture

Sample size: 775 publication Evidence: moderate

Author Information

Author(s): Fabian Mayer, Benedikt Buhk, Johannes Schilling, Philipp Rehner, Joachim Gross, André Bardow

Primary Institution: ETH Zurich

Hypothesis

Can a process-based screening method improve the selection of porous materials for carbon capture applications?

Conclusion

The study presents a method that efficiently screens porous materials for carbon capture, identifying optimal materials and process conditions.

Supporting Evidence

  • The method identifies optimal materials and process conditions for carbon capture applications.
  • 41 materials were screened based on their ability to achieve a purity above 90%.
  • The best-performing material achieved a specific work of 393 kJ kg−1.

Takeaway

This study shows a new way to find the best materials for capturing carbon from the air, which helps reduce pollution.

Methodology

The study uses a process model combined with 1D classical density functional theory to evaluate the performance of various porous materials for carbon capture.

Limitations

The results depend on the accuracy of the 1D-DFT model and the choice of the process model, which is simplified.

Digital Object Identifier (DOI)

10.1039/d4me00127c

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