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沸石咪唑酯骨架(ZIFs)材料是一种新型的温室气体CO_2吸附材料。本文采用巨正则蒙特卡洛(GCMC)模拟的方法研究了H_2O对ZIF-8及ZIF-90的CO_2吸附性能和CO_2/N_2分离性能的影响。研究结果表明,ZIF-90的CO_2吸附及CO_2/N_2分离性能要强于ZIF-8。在ZIF-8中,H_2O的存在对该材料的CO_2吸附性能和CO_2/N_2选择性分离性能几乎没有影响。H_2O对CO_2在ZIF-90中的吸附具有协同吸附作用,H_2O的存在对材料吸附CO_2及分离CO_2/N_2具有明显的促进作用。
Zeolite imidazole ester skeleton (ZIFs) material is a new type of greenhouse gas CO 2 adsorbent. In this paper, the effect of H 2 O on CO 2 adsorption and CO 2 / N 2 separation performance of ZIF-8 and ZIF-90 was investigated by GC-MS method. The results show that ZIF-90 has better CO 2 adsorption and CO 2 / N 2 separation than ZIF-8. In ZIF-8, the presence of H 2 O has almost no effect on the CO 2 adsorption and CO 2 / N 2 selectivity of the material. H_2O has a synergistic adsorption effect on the adsorption of CO_2 in ZIF-90. The presence of H_2O has a significant effect on the adsorption of CO_2 and the separation of CO_2 / N_2.