Journal
CHEMCATCHEM
Volume 13, Issue 11, Pages 2577-2582Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cctc.202100253
Keywords
adsorption; Cu-chabazite; NH3-SCR; oxygen activation; zeolites
Categories
Funding
- Swedish Research Council [2016-5234, 2017-04811]
- Swedish Energy Agency [47110-1]
- Competence Centre for Catalysis - Chalmers University of Technology
- Swedish Energy Agency
- AB Volvo
- ECAPS AB
- Johnson Matthey AB
- Preem AB
- Scania CV AB
- Umicore Denmark ApS
- Volvo Car Corporation AB
- C3SE (Goteborg) via a SNIC grant
- Swedish Research Council [2017-04811] Funding Source: Swedish Research Council
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The study found that oxygen adsorption is more facile over [NH3-Cu-NH3](+) complexes compared to framework-bound Cu+ species on Cu-chabazite. Experimental results are in agreement with density functional theory calculations, showing a lower barrier for oxygen activation over the [NH3-Cu-NH3](+) complexes.
Oxygen activation is a key step in the selective catalytic reduction of nitrogen oxides with ammonia (NH3-SCR) over Cu-chabazite. We present direct measurements of oxygen adsorption at low temperatures over [NH3-Cu-NH3](+) complexes and framework-bound Cu+ species in Cu-chabazite with Si/Al=14 using isothermal microcalorimetry combined with mass spectrometry. The enthalpy change for O-2 adsorption over [NH3-Cu-NH3](+) complexes at 200 degrees C is determined to be -79 kJ/mol. By fitting a Langmuir isotherm, the corresponding entropy change is determined to be -142 J/(mol*K) at 10 % O-2. The results show that O-2 adsorption at low temperatures over [NH3-Cu-NH3](+) complexes is more facile than on framework-bound Cu+ species. The experimental results are in agreement with density functional theory calculations showing a lower barrier for O-2 activation over the [NH3-Cu-NH3](+) complexes as compared to the framework-bound Cu+ species.
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