Speaker
Description
Rising atmospheric CO2 concentrations resulting from industrial activity and fossil fuel consumption present an urgent challenge for climate mitigation, underscoring the need for efficient capture technologies based on advanced porous materials. Metal organic frameworks (MOFs), characterized by their highly ordered pore networks, large internal surface areas, and tunable chemical functionality, offer a versatile platform for investigating CO2 transport and adsorption in crystalline porous media.
In this study, we present a coupled experimental and theoretical investigation of CO2 transport and capture in transition metal modified MOF-5. Density Functional Theory (DFT) calculations are employed to elucidate pore scale adsorption mechanisms by quantifying CO2 binding energies, metal framework stability, and charge transfer at distinct adsorption sites within the modified MOF-5 structure. These simulations provide molecular level insight into the influence of metal doping on CO2 solid interactions and adsorption The experimental work, including material synthesis, structural and chemical characterization, equilibrium gas adsorption measurements, and dynamic breakthrough experiments, is conducted to evaluate the adsorption performance, transport behavior, and stability of the metal modified MOF-5 under relevant conditions. By integrating molecular-scale modeling with macroscopic adsorption and transport measurements, this study demonstrates how transition metal incorporation enhances CO2 uptake and modifies transport phenomena within the porous framework. The results contribute to a multiscale understanding of CO2 capture in engineered porous media and highlight the role of tailored pore chemistry in optimizing adsorption driven separation processes
| References | Lei, R., Shen, W., Yang, Z., Jin, H., Chai, W., Guo, X., Ge, H. and Jin, D., Enhanced Co2 Adsorption in Cux-Mof-5: Optimal Doping and Regeneration Performance. |
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| Country | India |
| Green Housing & Porous Media Focused Abstracts | This abstract is related to Green Housing |
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