- Introduction
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Aims
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Česká verze
Principal investigator:
prof. Ing. Roman Bulánek, Ph.D.
University of Pardubice, Faculty of Chemical Technology, Department of Physical Chemistry
Tel. 466 037 511, 466 037 422
e-mail: roman.bulanek@upce.cz
Co-investigator:
RNDr. Ota Bludský, CSc
Institute of Organic Chemistry and Biochemistry of the AS CR, v.v.i., Prague
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 project incorporates both theoretical models and experimental validation, aiming to bridge the gap between complex molecular behaviors and practical applications in material science.
Keywords:
mass transport; zeolites; AlPO; GaPO; ZIF; flexibility; gating effects; internal defects
Aims
Aims of the project include (i) evaluation of compositionally-induced and guest-induced flexibility for CHA/LTA zeotypes and ZIFs, (ii) predictive modeling of extra-framework dynamics (gating effects) in low-silica zeolites, and (iii) utilization of internal defects for efficient gas separation.
Česká verze
