文献类型：期刊文献

英文题名：Insights into adsorption separation of N-2/O-2 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, ZY[1]

机构：[1]Univ Sci & Technol Beijing, Sch Energy & Environm Engn, Beijing 100083, Peoples R China;[2]Beijing Higher Inst Engn Res Ctr Energy Conservat, Beijing 100083, Peoples R China;[3]Beijing Union Univ, Coll Biochem Engn, Beijing 100023, Peoples R China;[4]Univ Michigan, Dept Chem Engn, Ann Arbor, MI 48109 USA

第一机构：Univ Sci & Technol Beijing, Sch Energy & Environm Engn, Beijing 100083, Peoples R China

通讯机构：[1]corresponding author), Univ Sci & Technol Beijing, Sch Energy & Environm Engn, Beijing 100083, Peoples R China.

年份：2020

卷号：251

外文期刊名：SEPARATION AND PURIFICATION TECHNOLOGY

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000564727000006)】；

基金：The authors would like to express the gratitude to the National Key R&D Program of China (No. 2017YFC0806304), the National Natural Science Foundation of China (No. 21808012, 21676025), the Fundamental Research Funds for the Central Universities (No. FRF-IDRY-19-025, FRF-TP-20-011A2), the Beijing Natural Science Foundation (No. 8182019), and the Scientific Research Project of Beijing Educational Committee (No. KM202011417007). Thanks to the National Supercomputing Shenzhen Center (Shenzhen Cloud Computing Center) for the help on molecular simulation calculations.

语种：英文

外文关键词：PSA oxygen production; Water vapor; Plateau M; olecular simulation; Zeolite; Si/Al molar ratio

摘要：Adsorption thermodynamics of N-2 and O-2 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 N-2/O-2 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 N-2/O-2 separation performance, causing reductions in N-2/O-2 selectivity of 50.9% and af lnities of 15.6% and 10.6% for N-2 and O-2 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 N-2 and O-2. The increase in Si/Al molar ratio suppressed the negative impact of water and temperature change but sacrificed the N-2/O-2 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 O-2 production under the plateau special condition.