Combined theoretical and experimental investigation of gas-zeolite interaction: adsorption, separation, gas storage
Provider: Grantová agentura ČR
Programme: Standardní projekty (řešení od. 1.1. 2009)
Implementation period: 01.01.09 - 31.12.12
Workplace:
Fakulta chemicko-technologická - Katedra fyzikální chemie
Investigator: Bulánek RomanTeam member: Čičmanec Pavel
Description:
The goal of this project is to gain a new insight (at the atomic scale level) into the structure and stability of various adsorption complexes formed on extra-framework metal cations in zeolites and into the vibrational dynamics of formed adsorption complexes. We will focus on the investigation of the adsorption of the small molecules that play an important role in energy storage (H2), environmental issues (CO2) or in other technological applications like gas separation and purification (hydrocarbons). From the combination of experimental and theoretical investigations a better understanding of experimental data can be obtained. We will focus on the FTIR for the characterization of adsorption complexes and on the microcalorimetry for the adsorption enthalpy measurements. It is expected that from the combination of experimental and theoretical approaches we can understand what is behind the differences between adsorption enthalpies measured for seemingly similar materials and this insight can help in a design of the optimal material for particular process.
The goal of this project is to gain a new insight (at the atomic scale level) into the structure and stability of various adsorption complexes formed on extra-framework metal cations in zeolites and into the vibrational dynamics of formed adsorption complexes. We will focus on the investigation of the adsorption of the small molecules that play an important role in energy storage (H2), environmental issues (CO2) or in other technological applications like gas separation and purification (hydrocarbons). From the combination of experimental and theoretical investigations a better understanding of experimental data can be obtained. We will focus on the FTIR for the characterization of adsorption complexes and on the microcalorimetry for the adsorption enthalpy measurements. It is expected that from the combination of experimental and theoretical approaches we can understand what is behind the differences between adsorption enthalpies measured for seemingly similar materials and this insight can help in a design of the optimal material for particular process.
