Adsorption Desulfurization on Azoles Modified ZSM5 Zeolite: A Theoretical Study

被引：0
|
作者：
Zhang, Hui [1 ]
Hong, Lijuan [1 ]
Chen, Junxian [2 ]
Mei, Fang [3 ]
Li, Jun [3 ]
Kim, Chan Kyung [3 ]
机构：
[1] Hefei Univ, Dept Chem & Mat Engn, Hefei 230022, Peoples R China
[2] Southwest Univ Nationalities, Coll Chem & Environm, Chengdu 610041, Peoples R China
[3] Inha Univ, Dept Chem, Inchon 402751, South Korea
来源：
ASIAN JOURNAL OF CHEMISTRY | 2014年 / 26卷 / 06期
关键词：
Azoles modified; ZSM5; zeolite; Desulfurization; IONIC LIQUIDS;
D O I：
10.14233/ajchem.2014.17325
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The behaviour of sulfur dioxide adsorbed in imidazole Modified ZSM5 zeolite has been investigated theoretically. The Structures of I imidazole, triazole, tetrazole and part of compound are optimized by density functional theory B3LYP method in 6-31+G* basis Set level The results show that zeolite,ZSM5 present a better adsorption capability to sulfur dioxide after the molecules of azoles are inserted into the zeolite sodalite cage, the adsorption capability is decreasing after the modified molecule is changed from imidazole to tetrazole.
引用
收藏
页码：1689 / 1690
页数：2
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