How Well Do Metal-Organic Frameworks Tolerate Flue Gas Impurities?

被引：58

作者：

Ding, Lifeng ^{[1
]}

Yazaydin, A. Oezguer ^{[1
,2
]}

机构：

[1] Univ Surrey, Dept Chem Engn, Guildford GU2 7XH, Surrey, England

[2] Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2012年 / 116卷 / 43期

关键词：

CO2; ADSORPTION; DENSITY; CAPTURE; BINDING; SITES;

D O I：

10.1021/jp308717y

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We present a comprehensive computational study on how SO2, NO2, NO, CO, and O-2 affect the CO, adsorption in some MOFs which showed exceptionally high pure CO2, uptake at low pressures. Our results show that SO2 is a significant threat to CO2, capture in Mg and Co/DOBDC MOFs, while Nil DOBDC tolerates it very well. We further show that the presence of SO2 might either increase or not affect the CO2, uptake in some MOFs rather than causing a decrease as expected. Our results also reveal that NO2, NO, and O-2 are a major concern for CO2, adsorption in MOFs with adeninate linkers (e.g., Bio-MOFs).

引用

页码：22987 / 22991

页数：5

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