Adsorption on metal-organic frameworks

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This manuscript presents the findings of four peer-reviewed articles focused on gas-phase adsorption, providing access to MATLAB codes for modeling and simulating both adsorption equilibria and dynamic adsorption in multicomponent mixtures. It introduces a novel isostructural series of metal-organic frameworks, IFP, and evaluates their separation properties for CO₂/CH₄ mixtures. The research examines the morphological and structural characteristics of these highly microporous materials through static adsorption screenings and dynamic processes in fixed beds, highlighting the impact of various functional groups on the physicochemical properties of the IFP series. The manuscript details mathematical models for static and dynamic adsorption, validated with experimental data, including a new model for hysteresis with water vapor isotherms and non-isothermal breakthrough curves, incorporating mass and heat balances. A heterogeneous kinetic model is employed for in-depth kinetic analyses, emphasizing the role of kinetically induced selectivity enhancement. This insight leads to the development of a core-shell composite material, featuring cost-effective mesoporous alumina carriers coated with kinetically selective Ni-MOF-74, demonstrating improved separation efficiency and potential for more economically viable processes.