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A density functional theory study of oxidation of benzene to phenol by N2O on Fe- and Co-ZSM-5 clusters
DFT benzene oxidation phenol N2O Fe-ZSM-5 Co-ZSM-5
2010/4/8
Density functional theory (DFT) calculations were carried out in the study of oxidation of benzene to phenol by N2O on relaxed [(SiH3)4AlO4M] (where M=Fe, Co) cluster models representing Fe- and Co-ZS...
Co-ZSM-5催化剂上C2H4选择催化还原氮氧化物表面中间物种组成研究
表面中间物种 氮氧化物 Co-ZSM-5
2007/12/27
采用预处理-瞬态反应产物分析的方法对Co-ZSM-5催化剂上，乙烯选择催化还原氮氧化物过程表面中间物种进行了研究。催化剂在275 ℃，经过0.1%NO/0.05%C2H4/10%O2/Ar处理后生成了表面中间物种NCaObHc，该物种与NO/O2/Ar混合气反应比与单独的NO和O2反应生成更多的N2。通过MS、IRAS、GC-MS及其联用方法对以上表面中间物种与NO/O2/Ar混合气反应产物分析，...