About: Physisorption of hydrogen and greenhouse gases in porous materials: theoretical and experimental investigation     Goto   Sponge   NotDistinct   Permalink

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Description
  • The proposed research is focused on the theoretical investigation of porous materials, in particular, on the adsorption of H2 and greenhouse gases (CO2, H2O, CH4) in porous materials. Porous graphitic materials, such as carbon nanotubes and functionalized carbon polymers, and zeolites and porous silicalites will be investigated. The role of the dopants on the adsorption properties will also be considered. Theoretical investigation will be based on the DFT/CC method that has been recently developed by some of us and that allows to describe the weak interaction on the gas-solid interface reliably. This method will be generalized and further developed in order to be used for system under investigation. Theoretical investigation will be accompanied by a parallel experimental study of porous polymeric materials to verify the reliability of theoretical models. The proposed investigation will bring new information about the structure and properties of physisorbed complexes in porous materials and better und (en)
  • Cílem projektu je kombinované teoretické a experimentální studium fyzisorpce plynů v porézních materiálech a rozvoj obecné metodiky pro ocenění vhodnosti těchto materiálů pro konkrétní průmyslové aplikace.
Title
  • Physisorption of hydrogen and greenhouse gases in porous materials: theoretical and experimental investigation (en)
  • Modelování fyzisorpce vodíku a skleníkových plynů v porézních materiálech
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  • ME10032
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  • Physisorption; porous materials; greenhouse gases (en)
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  • During the last year of the project we have focused on interactions of molecules on surfaces of molecular sieves, graphitic nanomaterials, and microporous organic polymers. The recent results include adsorption of propane and propylene on CuBTC MOF, water interactions with curved graphitic surfaces, and polyacetylene-type networks prepared by coordination polymerization of diethynylarenes. (en)
  • V posledním roce projektu byly studovány interakce molekul s povrchy molekulových sít (koordinačních polymerů, MOF), grafitických nanomateriálů a mikroporézních materiálů na bázi funkcionalizovaných polymerů. Recentní výsledky zahrnují adsorpci propanu a propylenu na CuBTC MOF, interakce molekuly vody se zakřivenými grafitickými povrchy a koordinační polymery diethynylarylenů. (cs)
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  • porous materials
  • Physisorption
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