高等学校化学学报 ›› 2013, Vol. 34 ›› Issue (11): 2574.doi: 10.7503/cjcu20130490

• 物理化学 • 上一篇    下一篇

新型类沸石金属-有机骨架材料用于天然气中CO2的分离

郑成成   

  1. 北京交通大学中国产业安全研究中心, 北京 100089
  • 收稿日期:2013-05-27 出版日期:2013-11-10 发布日期:2013-11-10
  • 作者简介:郑成成,女,博士,主要从事无机-有机杂化材料的吸附分离研究,E-mail:magicforest99@163.com

New Type ZMOFs for the Separation of CO2 in Natural Gas

ZHENG Cheng-Cheng   

  1. China Center for Industrial Security Research, Beijing Jiaotong University, Beijing 100089, China
  • Received:2013-05-27 Online:2013-11-10 Published:2013-11-10

摘要:

研究了在usf型类沸石金属-有机骨架材料(usf-ZMOF)中不同金属离子(Li+, Na+, K+, Rb+, Cs+, Mg2+, Ca2+, Sr2+, Al3+)对天然气分离(以CO2/CH4, CO2/H2, CO2/N2为研究对象)的不同影响. 结果表明, 此类材料对于3种体系的分离选择性均高于现有材料. 其中性能最好的是Al-usf-ZMOF, 其对CO2/CH4, CO2/N2和CO2/H2的分离选择性分别为290, 1700和16800. 同时, 对于经不同的离子交换后的usf-ZMOF, 吸附选择性随着离子电荷值的增加而增大; 对于同一主族的离子, 选择性随着原子序数的增加而减小. 而上述现象的产生是由阳离子和CO2间的强静电作用所致.

关键词: 类沸石金属-有机骨架, 天然气, 分离, 离子交换, 分子模拟

Abstract:

We reported a molecular simulation study for the separation of industrially gas mixtures in different ion-exchanged(Li+, Na+, K+, Rb+, Cs+, Mg2+, Ca2+, Sr2+, Al3+) usf zeolite-like metal-organic framework(usf-ZMOF). The selectivities of the three systems(CO2/CH4, CO2/N2, CO2/H2) are higher than the average. For the different ion-exchanged usf-ZMOF, the selectivity enhances when the ion valences go up from positive one to three. In the same main group, the selectivity decreased with the atom number increasing. In our research, the highest one is Al-usf-ZMOF, in which at ambient temperature and pressure, the CO2 adsorption selectivity is 290 for the CO2/CH4 mixture, 1.68×104 for the CO2/H2 mixture, and 1.7×103 for the CO2/N2 mixture. We find that the much higher selectivity is due to the strong interaction between CO2 and ions. CO2 assemble clusters around the ions to make the density even higher than liquid density in the nearest areas.

Key words: Zeolite-like metal-organic framework, Natural gas, Separation, Ion-exchange, Molecular simulation

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