文献类型：期刊文献

英文题名：Insights into adsorption separation of N2/O2 mixture on FAU zeolites under plateau special conditions: A molecular simulation study

作者：Fu, Yaoguo[1,2]; Liu, Yingshu[1,2]; Li, Ziyi[1,2]; Zhang, Quanli[1,2]; Yang, Xiong[1,2]; Zhao, Chunyu[1,2]; Zhang, Chuanzhao[3]; Wang, Haoyu[3]; Yang, Ralph T.[4]

第一作者：Fu, Yaoguo

通讯作者：Li, Ziyi

机构：[1] School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing, 100083, China; [2] Beijing Higher Institution Engineering Research Center of Energy Conservation and Environmental Protection, Beijing, 100083, China; [3] College of Biochemical Engineering, Beijing Union University, Beijing, 100023, China; [4] Department of Chemical Engineering, University of Michigan, Ann Arbor, MI, 48109-2136, United States

第一机构：School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing, 100083, China

通讯机构：[1]School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing, 100083, China

年份：2020

卷号：251

外文期刊名：Separation and Purification Technology

收录：EI(收录号：20203008970927);Scopus(收录号：2-s2.0-85088266972)

语种：英文

外文关键词：Adsorption - Molecular structure - Temperature - Molar ratio - Hydrogen bonds - Separation - Molecular oxygen

摘要：Adsorption thermodynamics of N2 and O2 on faujasite (FAU) zeolites with different Si/Al molar ratios under plateau conditions of wide ranges of temperature and humidity for pressure swing adsorption (PSA) oxygen production were studied based on validated molecular simulations. Binary adsorption isotherms and N2/O2 selectivity on each adsorbent were obtained. The results suggest that dehydrated feed air with very low dew point of 213 K could still lead to ~10 wt% water adsorption capacity in FAU zeolites. The effect of water content was larger than that of temperature change on N2/O2 separation performance, causing reductions in N2/O2 selectivity of 50.9% and affinities of 15.6% and 10.6% for N2 and O2 at 238 K, and those of 45.7%, 13.7% and 11.1% at 298 K on FAU-1.1, respectively. The strong interaction of water with zeolites via hydrogen bond was shown to decrease the pore volume by 25.61%, occupy the cationic sites, and thermodynamically form competitive adsorption over N2 and O2. The increase in Si/Al molar ratio suppressed the negative impact of water and temperature change but sacrificed the N2/O2 selectivity. To reach an optimal balance between the air separation performance and the adsorbent robustness, X zeolites with Si/Al molar ratio close to 1.5 would be recommended for PSA O2 production under the plateau special condition. ? 2020 Elsevier B.V.