Tailoring mass transport properties of porous materials for enhanced adsorption and catalysis
Provider: Grantová agentura ČR
Programme: Standardní projekty
Implementation period: 01.01.25 - 31.12.27
Workplace:
Fakulta chemicko-technologická - Katedra fyzikální chemie
Investigator: Bulánek RomanTeam member: Halamek Jakub
Description:
This project aims to enhance our comprehension of how the dynamic behaviors of host-guest systems in porous solids affect mass transport properties, crucial for adsorption and catalysis. It focuses on three key issues: (i) the role of composition and guest molecules in the mass transport properties of flexible materials like zeolites and ZIFs, (ii) gating effects in low-silica materials, and (iii) the influence of internal defects (silanols) on gas separation. Through the development of accurate models, the project intends to control these properties for various applications, tackling challenges in quantifying framework flexibility, the dynamics of extraframework cations, and the use of internal defects to enhance selectivity in gas separation. The proposed project incorporates both theoretical models and experimental validation, aiming to bridge the gap between complex molecular behaviors and practical applications in material science.
This project aims to enhance our comprehension of how the dynamic behaviors of host-guest systems in porous solids affect mass transport properties, crucial for adsorption and catalysis. It focuses on three key issues: (i) the role of composition and guest molecules in the mass transport properties of flexible materials like zeolites and ZIFs, (ii) gating effects in low-silica materials, and (iii) the influence of internal defects (silanols) on gas separation. Through the development of accurate models, the project intends to control these properties for various applications, tackling challenges in quantifying framework flexibility, the dynamics of extraframework cations, and the use of internal defects to enhance selectivity in gas separation. The proposed project incorporates both theoretical models and experimental validation, aiming to bridge the gap between complex molecular behaviors and practical applications in material science.
