|本期目录/Table of Contents|

[1]魏秋云,沈崇斌,孔哲,等.含不饱和金属位点的金属有机骨架材料对烟道气中SO-2的吸附与分离行为的分子模拟研究[J].浙江理工大学学报,2018,39-40(自科2):232-241.
 WEI Qiuyun,SHEN Chongbin,KONG Zhe,et al.Molecular simulation study on adsorption and separation of SO-2 in flue gas by metal organic frameworks with unsaturated metal sites[J].Journal of Zhejiang Sci-Tech University,2018,39-40(自科2):232-241.
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含不饱和金属位点的金属有机骨架材料对烟道气中SO-2的吸附与分离行为的分子模拟研究()
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浙江理工大学学报[ISSN:1673-3851/CN:33-1338/TS]

卷:
第39-40卷
期数:
2018年自科2期
页码:
232-241
栏目:
出版日期:
2018-03-31

文章信息/Info

Title:
Molecular simulation study on adsorption and separation of SO-2 in flue gas by metal organic frameworks with unsaturated metal sites
文章编号:
1673-3851 (2018) 03-0232-10
作者:
魏秋云沈崇斌孔哲张丽
1.浙江理工大学理学院,杭州 310018;2.北京师范大学附属杭州中学,杭州 310002;3.杭州电子科技大学材料与环境工程学院,杭州 310018
Author(s):
WEI Qiuyun SHEN Chongbin KONG Zhe ZHANG Li
1.School of Sciences, Zhejiang Sci-Tech University, Hangzhou 310018, China;2.Hangzhou Middle School Affiliated to Beijing Normal University, Hangzhou 310002, China; 3.College of Materials & Environmental Engineering, Hangzhou Dianzi University, Hangzhou 310018, China
关键词:
金属有机骨架材料烟道气吸附/分离分子模拟
分类号:
O647.32
文献标志码:
A
摘要:
MOFs(Metal organic frameworks)材料因具有较高的比表面积和孔隙率、可调的孔道以及良好的热稳定性和化学稳定性等优势,被认为是用于硫化物吸附与分离最有前途的新型多孔材料。采用分子模拟方法研究了含不饱和金属位点的MOFs材料对烟道气中SO2的吸附与分离行为,揭示影响吸附/分离性能的因素,研究结果表明:低压下,SO2在MOFs材料中的吸附性能取决于SO2与MOFs材料之间的相互作用,MOFs材料与SO2之间的相互作用越强,吸附性能越好;高压下,SO2在MOFs材料中的吸附性能由材料的比表面积、孔体积决定。金属离子与有机配体构成的角度越大,烟道气中SO2与MDOBDCs材料(金属离子MⅡ(Co、Ni、Mg等)和2,5二羟基1,4对苯二甲酸(2,5dioxido1,4benzenedicarboxylate,DOBDC)配体配位形成的微孔材料)中的不饱和金属位点之间接触概率越大,MDOBDCs材料与烟道气中SO2之间的相互作用越强,其对烟道气中SO2的分离性能越佳。烟道气中N2在不同金属离子的MDOBDCs材料中吸附量相当,不同金属离子对烟道气分离性能差异主要由CO2与SO2在不同MDOBDCs中竞争效应不同所致。ZnDOBDC是可用于烟道气中VSA过程SO2分离的备选材料。

参考文献/References:

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备注/Memo

备注/Memo:
收稿日期: 2017-03-15
网络出版日期: 2017-06-21
作者简介: 魏秋云(1989-),女,河南周口人,硕士研究生,主要从事分子模拟方面的研究
通信作者: 张丽,E-mail:yazi5@163.com
更新日期/Last Update: 2018-03-16