Selective adsorption behaviour of carbon dioxide in OH-functionalized metal–organic framework materials,CrystEngComm

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Selective adsorption behaviour of carbon dioxide in OH-functionalized metal–organic framework materials
CrystEngComm ( IF 2.6 ) Pub Date : 2017-08-17 00:00:00 , DOI: 10.1039/c7ce01195d
Jinjie Qian _{1,

2,

3,

4,

5} , Jinni Shen _{5,

6,

7,

8,

9} , Qipeng Li _{5,

6,

7,

8,

9} , Yue Hu _{1,

2,

3,

4} , Shaoming Huang _{1,

2,

3,

4}

Affiliation

The theoretically optimal adsorption locations in hydroxyl (OH)-decorated metal–organic frameworks show that the captured carbon dioxide (CO₂) molecules interact with the cis-μ₂-OH groups in an end-on mode, which shows a moderate to weak hydrogen bond. The experimental isotherms and ideal adsorption solution theory (IAST) calculations show the high selectivity of CO₂ for nitrogen at 273, 283 and 295 K and 1.0 bar for three types of OH-appended isostructures.

中文翻译：

OH-官能化的金属有机骨架材料中二氧化碳的选择性吸附行为

在羟基理论上最佳的吸附位置（OH）-decorated金属有机骨架表明，所捕获的二氧化碳（CO ₂）分子与相互作用顺-μ _2个-OH基团在最终开启模式，其示出了中度到弱氢键。实验等温线和理想吸附溶液理论（IAST）计算表明，对于3种类型的OH附加同构结构，CO ₂对273、283和295 K的氮具有很高的选择性，在1.0 bar的压力下具有很高的选择性。

更新日期：2017-09-18

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