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Description
Highly crystalline and ultra-microporous Nickel based metal organic frameworks (Ni-MOFs) were synthesized via conventional heating and microwave-assisted methods for efficient CO2 capture from humid flue gas streams. The MOFs synthesized through microwave-assisted route exhibited large surface areas (up to 1346 m2/g) and high micropore volume (up to 0.51 cm3/g). CO2 adsorption capacities of 5.18 mmol g-1 was recorded for Ni-based framework (NB-mw). Upon introduction of Cu into the framework (NCB-mw), the CO2 uptake increased to 6.61 mmol/g at 298 K and 1 bar. The bimetallic integration decreased the pore size due to reduction in M-O bond lengths, facilitating CO2 diffusivity of 2.86 × 10-9 m2/s. The utilization of a single, small ligand enhanced MOFs shelf life and stability under humid conditions. And NCB-mw retained its structural integrity and adsorption efficiency over 20 consecutive adsorption-desorption cycles. The CO2/N2 selectivity and isosteric heat of adsorption for NCB-mw were evaluated to be 167 and 42.7 kJ/mol, respectively. Furthermore, a DFT study identified the preferential adsorption sites and their affinity towards CO2 molecules. In addition to experimental investigations, process modelling was conducted to assess the energy consumption and scalability of NCB-mw for post-combustion CO2 capture via temperature vacuum swing adsorption (TVSA) simulation. The analysis included fixed-bed adsorption modelling, system-level performance parameters and energy estimation to evaluate both material suitability and process integration.
Keywords: Metal Organic Framework, Microwave Synthesis, CO2 adsorption, Density Functional Theory, Process Modelling
| Country | India |
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