文献类型：期刊文献

英文题名：Tuning n-Alkane Adsorption on Mixed-Linker Zeolitic Imidazolate Framework-8-90 via Controllable Ligand Hybridization: Insight into the Confinement from an Energetics Perspective

作者：Sun, Hui[1,2];Jiang, Hao[2];Kong, Ruiqi[2];Ren, Danni[2];Wnag, Dan[2];Tan, Jialun[2];Wu, Di[3,4,5,6];Zhu, Weinan[2];Shen, Benxian[1,2]

机构：[1]East China Univ Sci & Technol, Int Joint Res Ctr Green Energy Chem Engn, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Petr Proc Res Ctr, Shanghai 200237, Peoples R China;[3]Washington State Univ, Alexandra Navrotsky Inst Expt Thermodynam, Pullman, WA 99163 USA;[4]Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99163 USA;[5]Washington State Univ, Mat Sci & Engn, Pullman, WA 99163 USA;[6]Washington State Univ, Dept Chem, Pullman, WA 99163 USA

年份：2019

卷号：58

期号：29

起止页码：13274

外文期刊名：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

收录：;EI(收录号：20193307308853);WOS:【SCI-EXPANDED(收录号:WOS:000477787000034)】；

基金：This work is financially supported by the National Natural Science Foundation of China (Grants 91634112 and 21878097), the Natural Science Foundation of Shanghai (Grant 16ZR1408100), and the Open Project of State Key Laboratory of Chemical Engineering (Grant SKL-ChE-16C01). D.W. acknowledges the institutional funds from the Gene and Linda Voiland School of Chemical Engineering and Bioengineering at Washington State University.

语种：英文

外文关键词：Pore structure - Scanning electron microscopy - Van der Waals forces - Differential scanning calorimetry - Adsorption - Ligands - Hexane - Field emission microscopes - Paraffins

摘要：Linker hybridization provides enormous tunability of structures and properties of zeolitic imidazolate frameworks (ZIFs). We synthesized hybrid ZIF-8-90 structures by using binary organic ligands and examined their compositional and structural evolution using multiple techniques including field emission scanning electron microscopy (FESEM), Raman, X-ray diffraction (XRD), thermogravimetry-differential scanning calorimetry (TG-DSC), N-2 adsorption, and H-1 NMR analyses. Well-designed ligand compositions of ZIF structures contribute to the continuously switchable pore structures. The average micropore diameter shrinks from 0.72 to 0.65 nm, while the mesopore width monotonically increases from 2.18 to 3.29 nm as the carboxaldehyde-2-imidazole (OHC-IM) proportion rises from 0.31 for ZIF-8-90-S1 to 0.88 for ZIF-8-90-S5. An increase in framework polarity can lead to the strengthened guest-host interaction and therefore energetically exerts a positive effect on the adsorption affinity of n-hexane on hybrid ZIF-8- 90 structures. The highest n-hexane adsorption capacity is found on the ZIF-8-90-S4 sample (having OHC-IM proportion of 0.82). At a close OHC-IM proportion of 0.792, the simulation result exhibits the strongest guest-host interaction (with the largest van der Waals interaction energy).