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  • Wang, Xueting,1991Chalmers tekniska högskola,Chalmers University of Technology (author)

Direct measurement of enthalpy and entropy changes in NH3 promoted O2 activation over Cu−CHA at low temperature

  • Article/chapterEnglish2021

Publisher, publication year, extent ...

  • 2021-05-03
  • Wiley,2021
  • electronicrdacarrier

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  • LIBRIS-ID:oai:research.chalmers.se:81051ddd-b677-4ae2-b916-20ece5821766
  • https://doi.org/10.1002/cctc.202100253DOI
  • https://research.chalmers.se/publication/523659URI

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  • Language:English
  • Summary in:English

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  • Subject category:art swepub-publicationtype
  • Subject category:ref swepub-contenttype

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  • Oxygen activation is a key step in the selective catalytic reduction of nitrogen oxides with ammonia (NH -SCR) over Cu-chabazite. We present direct measurements of oxygen adsorption at low temperatures over [NH −Cu−NH ] 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 adsorption over [NH −Cu−NH ] complexes at 200 °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 . The results show that O adsorption at low temperatures over [NH −Cu−NH ] 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 activation over the [NH −Cu−NH ] complexes as compared to the framework-bound Cu species.

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  • Chen, Lin,1990Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)clin (author)
  • Vennestrøm, Peter (author)
  • Janssens, Ton (author)
  • Jansson, Jonas,1973Volvo Cars(Swepub:cth)jansson (author)
  • Grönbeck, Henrik,1966Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)ghj (author)
  • Skoglundh, Magnus,1965Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)skoglund (author)
  • Chalmers tekniska högskolaVolvo Cars (creator_code:org_t)

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  • In:ChemCatChem: Wiley13:11, s. 2577-25821867-38991867-3880

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