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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 cis2-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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