Theoretical Study of CH and CO Separation by IRMOFs

Overview

Journal ACS Omega

Publisher American Chemical Society

Specialty Chemistry

Date 2024 Sep 23

PMID 39310208

Authors

Ana Luiza Andrade Mizuno

Edna da Silva Machado

Joao B L Martins

Jose Roberto Dos Santos Politi

Nailton Martins Rodrigues

Affiliations

Soon will be listed here.

Abstract

Porous materials such as isoreticular metal-organic frameworks (IRMOFs) can be applied in several areas that explore the physical adsorption. An area that has gained prominence is fuel gas storage, as it provides the storage of a large amount of gas at low pressure and the purification of combustible gas due to the selectivity of the different chemical environments of its pores. IRMOFs represent an ideal study group due to their wide range of pore sizes resulting from the use of different organic ligands. In this context, exploring IRMOFs that adsorb more efficiently stands out, mainly for optimizing the ligand, pressure, and temperature. This work focused on the adsorption and separation of CH and CO using various IRMOFs. The results suggest that IRMOF-6 is the most suitable for separation and purification and that enhanced purification occurs when the temperature is reduced and the system pressure is increased. This better performance is associated with the higher adsorption energies for this MOF, with CO being higher than CH, which tends to become even more evident when the system pressure increases.

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