(739c) Using Metal-Organic Frameworks for CO Purification: Investigation of Key Material Parameters through a Multi-Scale Approach
AIChE Annual Meeting
Thursday, November 2, 2017 - 3:51pm to 4:09pm
This study investigates the use of a class of adsorbents, namely metal-organic frameworks (MOFs), for purification and separation of CO from gas streams containing high levels of N2. Due to the multitude of MOFs that exist, a multi-scale approach - combining molecular simulation and process system modelling - proposed suitable MOFs for the targeted separation. In this presentation, we will show a number of promising MOF structures that were identified, synthesized, characterized and tested for CO adsorption under both equilibrium and dynamic conditions. The effects of the porosity, type of metal sites, group functionalization and incorporation of additional chemisorption sites on the uptake and selectivity were investigated and will be discussed during the talk.