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 ana-lyzed by the Horvath-Kawazoe ( HK) method. It is found that at 77 K and 12 MPa, 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 5000 kPa, 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 Å, both of them have almost the same pore volume, while if the pore size is increased from 8 Å to 25 Å, the pore volume of PCN-66 is much larger than that of PCN-61.%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77 K,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8Å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．
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