loading page

Integrated metal-organic framework (MOF) and pressure/vacuum swing adsorption process design: MOF matching
  • Xiang Zhang,
  • Teng Zhou,
  • Kai Sundmacher
Xiang Zhang
Max Planck Institute for Dynamics of Complex Technical Systems

Corresponding Author:[email protected]

Author Profile
Teng Zhou
Max Planck Institute for Dynamics of Complex Technical Systems
Author Profile
Kai Sundmacher
Max Planck Institute for Dynamics of Complex Technical Systems
Author Profile

Abstract

A two-step integrated MOF and pressure/vacuum swing adsorption (P/VSA) process design has been recently established for gas separation. In the first step, selected MOF descriptors and process operating conditions are simultaneously optimized to maximize the process performance. Based on the obtained results, the second step (i.e., MOF matching) is addressed and exemplified by propene/propane separation in this work. Computational MOF synthesis and screening are carried out to find new advanced material candidates for enhancing the separation process efficiency. First, model-based property-performance relationships are developed for fast MOF screening. Then, MOF building blocks are extracted from 471 CoRE MOFs. With these building blocks, 45472 hypothetical MOFs are created. After model-based and molecular simulation-based screening, six candidates are left and sent to P/VSA process optimization. Finally, three candidates are found to meet the pre-defined separation specifications and one candidate shows a better process performance than the best out of the 471 MOFs.
08 Mar 2022Submitted to AIChE Journal
11 Mar 2022Submission Checks Completed
11 Mar 2022Assigned to Editor
20 Mar 2022Reviewer(s) Assigned
27 Apr 2022Editorial Decision: Revise Minor
06 May 20221st Revision Received
11 May 2022Submission Checks Completed
11 May 2022Assigned to Editor
24 May 2022Editorial Decision: Accept
Sep 2022Published in AIChE Journal volume 68 issue 9. 10.1002/aic.17788