Acta Phys. -Chim. Sin. ›› 2002, Vol. 18 ›› Issue (05): 432-436.doi: 10.3866/PKU.WHXB20020510

• ARTICLE • Previous Articles     Next Articles

UBI-QEP Study of Catalytic Reduction Desulfuration on Cobalt Oxide

Sun Jie;Lin Jing-Dong;Yi Jun;Wei Guang;Chen Hong-Bo;Liao Dai-Wei   

  1. Department of Chemistry,2Department of Oceanography,3State Key Laboratory of Physical Chemistry on Solid Surfaces,4Institute of Physical Chemistry,Xiamen University,Xiamen 361005
  • Received:2001-09-27 Revised:2002-01-31 Published:2002-05-15
  • Contact: Liao Dai-Wei E-mail:dwliao@xmu.edu.cn

Abstract: The catalytic reduction desulfuration on cobalt oxide was investigated using UBIQEP method.It was found that the reaction followed the Redox mechanism in the reduction process of SO2 with CO at low temperature.First,the carbon monoxide reacted with lattice oxygen and produced oxygen vacancy on the surface.Then,the SO2 was reduced on the vacancy of oxygen anion.At high temperature,however,there was intermediate COS.Therefore,the reaction followed both the Redox mechanism and the COS intermediate mechanism.The intermediate product,SO,is much unstable which can be reduced by CO rapidly and can be oxidized by surface oxygen species.The COS can inhibit the surface oxygen species that can influence the reaction.

Key words: Desulfuration, UBI-QEP(the unity bond indexquadratic potential)Energytics, Cobalt oxide, Catalytic reduction, Flue gas