The CO₂ adsorption performance of most adsorbents were inhibited by water vapor which is a ubiquitous component of flue gas. It is critical to find an adsorbent with long-term stability in the presence of water vapor. In this study, both theoretical and experimental study were carried out to investigate the CO₂ capture capacity in humid flue gas of PEI impregnated ZIF-8. Grand canonical Monte Carlo (GCMC) simulation was performed to calculate the co-adsorption of CO₂ and H₂O on ZIF-8-PEI. The simulation result indicates that water vapor has no negative impact on CO₂ adsorption of ZIF-8-PEI. Then, ZIF-8 with different PEI weight was synthesized and characterized. It is found that ZIF-8 with 30 wt.% PEI not only shows the highest CO₂ uptake of 1.4 mmol/g in dry condition but also exhibits excellent CO₂/N₂ separation performance. More important is that the adsorption capacity of ZIF-8-PEI30% was improved to 1.7 mmol/g when the adsorbents were imposed to humid flue gas with 50% relative humidity (RH). Moreover, it only shows a slight decrease after 50 adsorption/desorption cycles. Hence, water plays an excellent promoter role in CO₂ capture of ZIF-8-PEI30%, and it is a promising adsorbent to be used in humid flue gas.

大多数吸附剂的CO ₂吸附性能受到烟气中普遍存在的水蒸气的抑制。找到在水蒸气存在下具有长期稳定性的吸附剂至关重要。本研究通过理论和实验研究，研究了PEI浸渍ZIF-8对潮湿烟气中CO _{2的捕集能力。}进行大规范蒙特卡罗 (GCMC) 模拟以计算 CO ₂和 H ₂ O 在 ZIF-8-PEI 上的共吸附。模拟结果表明水蒸气对CO _{2没有负面影响}ZIF-8-PEI 的吸附。然后，合成并表征了不同PEI重量的ZIF-8。发现添加30 wt.% PEI的ZIF-8不仅在干燥条件下表现出最高的CO ₂吸收量1.4 mmol/g，而且表现出优异的CO ₂ /N ₂分离性能。更重要的是，当吸附剂对相对湿度（RH）为50%的潮湿烟气施加吸附剂时，ZIF-8-PEI30%的吸附能力提高到1.7 mmol/g。此外，它仅在 50 次吸附/解吸循环后略有下降。_{因此，水对ZIF-8-PEI30%的CO 2}捕集起到了极好的促进作用，是一种很有前途的用于潮湿烟气的吸附剂。