Department of chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China.
Chem Commun (Camb). 2011 Sep 14;47(34):9603-5. doi: 10.1039/c1cc13543k. Epub 2011 Jul 29.
The ligand functionalization effect on the CO(2)/CH(4) separation performance of the MOF type UiO-66(Zr) was explored computationally. The -SO(3)H and -CO(2)H functionalized forms show the highest selectivity, good working capacity and medium ranged CO(2) adsorption enthalpy that make these materials very promising for physisorption-based processes.
通过计算研究了配体功能化对 MOF 型 UiO-66(Zr)的 CO(2)/CH(4)分离性能的影响。-SO(3)H 和 -CO(2)H 功能化形式表现出最高的选择性、良好的工作容量和中等范围的 CO(2)吸附焓，这使得这些材料非常适合基于物理吸附的过程。
