New insight into selective catalytic reduction of nitrogen oxides by ammonia over H-form zeolites: a theoretical study.

  • Jun Li, Shuhua Li
  • Published 2007 in Physical chemistry chemical physics : PCCP

Abstract

Density functional theory calculations were carried out to investigate the reaction mechanism of selective catalytic reduction of nitrogen oxides by ammonia in the presence of oxygen at the Brønsted acid sites of H-form zeolites. The Brønsted acid site of H-form zeolites was modeled by an aluminosilicate cluster containing five tetrahedral (Al, Si) atoms. A… (More)

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