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Assignment sample solution of CHEM601 - Advanced Materials Chemistry

Design and Application of Metal-Organic Frameworks (MOFs) in Gas Storage and Separation

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Chemistry Assignment Sample

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Metal-Organic Frameworks (MOFs) represent a class of highly porous materials composed of metal ions or clusters coordinated to organic ligands. These structures are highly tunable, making them ideal for gas storage and separation applications. MOFs are characterized by their high surface area, thermal stability, and customizable pore sizes, which enable selective adsorption of gases.

In gas storage, MOFs are utilized for hydrogen, methane, and carbon dioxide. For instance, MOF-5 and HKUST-1 exhibit remarkable hydrogen uptake due to their large surface areas and high porosity. These properties are essential for developing hydrogen fuel storage systems, a critical component of sustainable energy solutions. Similarly, MOFs like ZIF-8 and MIL-53 are used for methane storage, providing compact alternatives to traditional gas storage tanks.
For gas separation, MOFs exhibit excellent selectivity due to their ability to differentiate gases based on size, shape, or functional groups. One notable application is carbon capture, where MOFs such as Mg-MOF-74 selectively adsorb CO2 over other gases like N2 and O2. This selectivity arises from the interaction between CO2 and unsaturated metal sites within the MOF structure. Additionally, MOFs have been explored for separating hydrocarbon mixtures in petrochemical industries, significantly improving efficiency.

 

The design of MOFs involves choosing appropriate metal centers and organic linkers. Computational chemistry tools, such as density functional theory (DFT), are employed to predict and optimize MOF structures. Despite their advantages, challenges like scalability, stability under operational conditions, and regeneration costs limit their industrial application. Research is ongoing to address these issues, focusing on developing robust and cost-effective MOFs tailored for specific gas-related applications.