Improving\nOlefin Purification Using Metal Organic Frameworks with Open Metal\nSites

Abstract

The\nseparation and purification of light hydrocarbons is challenging in\nthe industry. Recently, a ZJNU-30 metal–organic framework (MOF)\nhas been found to have the potential for adsorption-based separation\nof olefins and diolefins with four carbon atoms [H. M. Liu et al. <i>Chem.Eur. J</i>. <b>2016</b>, <i>22</i>, 14988–14997]. Our study corroborates this finding but reveals\nFe-MOF-74 as a more efficient candidate for the separation because\nof the open metal sites. We performed adsorption-based separation,\ntransient breakthrough curves, and density functional theory calculations.\nThis combination of techniques provides an extensive understanding\nof the studied system. Using this MOF, we propose a separation scheme\nto obtain a high-purity product.