A series of mixed-ligand [1,4-benzenedicarboxylic acid (BDC)/2-amino-1,4-benzenedicarboxylic acid (ABDC)] UiO-66 metal-organic frameworks (MOFs) synthesized through two different methods (low (LT) and high temperature (HT)) have been investigated for their carbon dioxide adsorption properties from 0 to 1 bar to clarify the role of amino loading on carbon dioxide uptake. Volumetric CO2 isotherms show that the CO2 capacity (normalized to the Langmuir surface area) increases with a degree of functionalization of about 46 %; for similar NH2 contents, the same values are found for both synthetic procedures. Microcalorimetric isotherms reveal that amino-functionalized materials have a larger differential heat of adsorption (q(diff)) towards CO2; reaching 27(25) and 20(22) kJmol(-1) on HT(LT)-UiO-66-NH2 and UiO-66, respectively, at the lowest equilibrium pressures used in this study. All experimental results are supported by values obtained through quantum mechanical calculations.

Carbon Dioxide Adsorption in Amine-Functionalized Mixed-Ligand Metal-Organic Frameworks of UiO-66 Topology

J. G. Vitillo;S. Bordiga
2014-01-01

Abstract

A series of mixed-ligand [1,4-benzenedicarboxylic acid (BDC)/2-amino-1,4-benzenedicarboxylic acid (ABDC)] UiO-66 metal-organic frameworks (MOFs) synthesized through two different methods (low (LT) and high temperature (HT)) have been investigated for their carbon dioxide adsorption properties from 0 to 1 bar to clarify the role of amino loading on carbon dioxide uptake. Volumetric CO2 isotherms show that the CO2 capacity (normalized to the Langmuir surface area) increases with a degree of functionalization of about 46 %; for similar NH2 contents, the same values are found for both synthetic procedures. Microcalorimetric isotherms reveal that amino-functionalized materials have a larger differential heat of adsorption (q(diff)) towards CO2; reaching 27(25) and 20(22) kJmol(-1) on HT(LT)-UiO-66-NH2 and UiO-66, respectively, at the lowest equilibrium pressures used in this study. All experimental results are supported by values obtained through quantum mechanical calculations.
2014
http://onlinelibrary.wiley.com/doi/10.1002/cssc.201402694/abstract;jsessionid=CF9B9198387C3FEAAF39D7AEC2C73003.f02t01
ZIRCONIUM TEREPHTHALATE UIO-66(ZR); CO2 CAPTURE; AB-INITIO; STABILITY; CRYSTAL; MOFS; UiO-66; carbon dioxide adsorption; metal organic frameworks; Functionalized metal organic frameworks; Amine-Functionalized MOF; Volumetric CO2 isotherms; Microcalorimetric isotherms
Ethiraj, J.; Albanese, E.; Civalleri, B.; Vitillo, J. G.; Bonino, F.; Chavan, S.; Shearer, G. C.; Lillerud, K. P.; Bordiga, S.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11383/2076408
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