%0 Journal Article
%T 高比表面积金属有机骨架材料(PCN-61,PCN-66)储氢性能研究<br>Study on the hydrogen storage properties of metal organic frameworks (PCN-61, PCN-66) with high specific surface area
%A 戴伟
%J 原子与分子物理学报
%D 2016
%X 应用巨正则蒙特卡洛方法，研究了PCN-61和PCN-66两类金属有机骨架材料的储氢性能；采用Horvath-Kawazoe(HK) 微孔分析方法，分析了两类金属有机骨架材料的孔径分布。研究结果表明：在低温77K，120个大气压条件下，PCN-61和PCN-66的质量储氢密度可达6.2%和7.0%. 低压吸附阶段，两种材料的储氢性能差别不大，随着压力的增加，由于PCN-66具有更多大于8 ？的孔径，因此在增压吸附过程中PCN-66表现出了更好的吸附能力。<br>The hydrogen storage properties of two kinds of metal organic frameworks (MOFs)，PCN-61 and PCN-66, have been studied by the grand canonical Monte Carlo method. Their pore size distributions are analyzed by the Horvath-Kawazoe (HK) method. It is found that at 77K and 12MPa, the hydrogen storage weight densities of PCN-61 and PCN-66 can reach 6.2% and 7.0%, respectively. When the pressure is less than 5000kPa, the hydrogen storage capacities of PCN-61 and PCN-66 are not much different. With the increase of pressure, the hydrogen storage capacity of PCN-66 is better than that of PCN-61. This is because when the pore size is less than 8 ？, both of them have almost the same pore volume, while if the pore size is increased from 8 ？ to 25 ？, the pore volume of PCN-66 is much larger than that of PCN-61.
%K 储氢 金属有机骨架 孔径分布 巨正则蒙特卡洛 吸附等温线&lt
%K br&gt
%K Hydrogen storage Metal organic frameworks Pore size distribution Grand canonical Monte Carlo Adsorption isotherm
%U http://jamp.ijournals.cn/jamp/ch/reader/view_abstract.aspx?file_no=15199&flag=1