Topic of Research Seminar: Metal Organic Frameworks (MOFs) for CO2 Capture

Abstract: Excess CO2 emissions from fossil fuel combustion are harmful to sustainable development and thus causing global warming. Carbon capture is a critical technology for lowering CO2 emissions and combating global climate change. Global researchers are progressively focused on the development of innovative materials for efficient CO2 capture. For the absorption of CO2, current post combustion carbon capture techniques typically use amine-based solvents such as mono ethanolamine (MEA). Alkanol amines have appreciative capacity for absorption, but it requires a lot of energy due to their high vapor pressure, solvent loss during desorption, and high rate of corrosion. There has been a lot of interest in the use of Metal Organic Frameworks (MOFs) for CO2 capture. Because of their unique properties, such as high thermal stability, functional designability, and high selectivity, MOFs are promising candidates for CO2 sorption and conversion. They have been utilized to replace many conventional materials in gas separation, and the introduction of ionic liquids (ILs) into porous MOFs has showed promise for enhancing CO2 capture and separation. However, the driving force underpinning the electronic regulations of MOF nanostructures and the reasons behind their high CO2 adsorption are unclear. In this seminar, a study has been discussed effect of confinement of ionic liquids into a MOF, notably ZIF-8 using Density Functional Theory (DFT). The results revealed that incorporating ILs into ZIF-8 yielded higher CO2 sorption compared to pristine ILs and ZIF-8. The enhancement was ascribed to the reciprocal relationships between ZIF-8 and ILs, which successfully controlled CO2 adsorption inside the integrated structure. This insight may serve as an overview for further exploration of the surface-to-surface interactions between ILs and ZIF structures, as well as how these molecular-level interactions may be used to predict which ILs/MOFs more accurately and efficiently will be selected for CO2 adsorption and separation.

Subject Field of Topic: Material Sciences

Name of Speaker: Ms. Hira Karim

Professorial Rank of Speaker: PhD Scholar (Chemistry Dpt.) SNS – NUST

Email of Speaker: [email protected]

Affiliation of Speaker: School of Natural Sciences (SNS) NUST

Date and Venue: (Thursday) 25 April 2024, 14:00 hrs, at CR # 205 (New Building SNS), School of Natural Sciences (SNS), NUST Islamabad