Covalent and Metal-Organic Frameworks-Based Membranes with Tunable Porosity for Selective Gas Separation

Project description

The separation of C4 hydrocarbons (e.g., butane, butene, and isobutane) is crucial in the petrochemical and energy sectors as these gases are key feedstocks for fuel production. Conventional methods, such as cryogenic distillation, are highly energy-intensive, driving interest in advanced materials for efficient, selective, and sustainable gas separation. Two-dimensional (2D) covalent organic frameworks (COFs) and metal-organic frameworks (MOFs) have emerged as promising candidates for this purpose. These crystalline porous materials, composed of covalently bonded organic building blocks, feature highly ordered pores with precise sizes and tunable functionality, making them ideal for gas separation. Selective separation of C4 hydrocarbons requires materials with pore sizes that can differentiate molecular dimensions and selectively interact with functional groups. COFs and MOFs offer modularity, enabling functionalization to enhance specific interactions, such as π-complexation for unsaturated hydrocarbons and van der Waals forces for branched isomers. Collaboration with the University of Queensland further strengthens this research through expertise in synthesis and advanced structural characterization. Access to the Australian Synchrotron allows for in-depth structural insights using X-ray diffraction, scattering, and absorption techniques, facilitating precise analysis of pore architecture, defect engineering, and host-guest interactions.
The objective is to develop high-performance 2D COFs and MOFs for selective C4 gas separation. The approach includes designing and synthesizing materials with tailored pore sizes and functional groups. Characterization techniques like PXRD, TEM, and adsorption studies will confirm structure and stability. Gas separation efficiency will be evaluated through adsorption isotherms and mixed gas experiments, supported by advanced synchrotron characterization. Computational studies using DFT, MD, and GCMC simulations will further elucidate the interaction mechanisms and predict adsorption behaviors, ensuring a comprehensive understanding of the materials’ performance.

Outcomes

The development of 2D COFs and MOFs based porous materials and membranes with high selectivity for C4 hydrocarbons enables efficient and sustainable gas separation. Understanding the structure-property-performance relationships is essential for optimizing separation efficiency, particularly for isobutane/butane and butene/butadiene mixtures. These advanced materials significantly reduce energy consumption compared to conventional methods, offering greener and more cost-effective solutions.

Essential capabilities

Understanding of basics of materials chemistry and general chemistry

Desireable capabilities

Materials characterization and separation science

Expected qualifications (Course/Degrees etc.)

Masters in Chemistry or Materials Science and Engineering

Additional information for applicants

note: i-students must have own scholarship to apply (CSIR, UCG-NET, etc)