Metal-Organic Frameworks: Screening M-MOF-74 (M = Co, Cr, Cu, Fe, Mg, Mn, Ni, Ti, and Zn) Based for Carbon Dioxide Adsorption

The release of carbon dioxide in the environment is increasing yearly due to human activities and it will affect greenhouse gas. To overcome this issue, adsorption technology found to be the best candidate due to its performance to capture high CO2 with lower capital cost. Much attention has focused on metal-organic framework (MOF) due to high potential of CO2 capture compared with conventional adsorbents. More research has been done on MOF-74 due to presence of the open-metal site that favors CO2 binding. The presence of metal in MOF-74 able to give higher surface area and porosity of the molecules thus result in higher adsorption of CO2. However, there is limited research related to metal in MOF-74 where most focused on the Mg-MOF-74 due to its ability to adsorb twice of CO2 compared with zeolites. Yet, Mg-MOF-74 found to lose stability in presence of water where it's only able to recover 15% from initial adsorption. Synthesizing MOF-74 requires high cost and providing not a promising result for each synthesizes. Thus, this paper introduces to screen MOF-74 for different metal centers using modeling approach by Material Studio. As result, Ni-MOF-74 shows the highest adsorption of CO2 with 12.35mmol/g compared to other metals.