Tian Yuyang, Song Jian, Zhu Youliang, Zhao Huanyu, Muhammad Faheem, Ma Tingting, Chen Mo, Zhu Guangshan
Key Laboratory of Polyoxometalate Science of the Ministry of Education , Faculty of Chemistry , Northeast Normal University , Changchun 130024 , P. R. China . Email:
State Key Laboratory of Polymer Physics and Chemistry , Changchun Institute of Applied Chemistry , Chinese Academy of Sciences , Changchun 130022 , P. R. China.
Chem Sci. 2018 Oct 23;10(2):606-613. doi: 10.1039/c8sc03727b. eCollection 2019 Jan 14.
An ionic porous aromatic framework, iPAF-1, was successfully synthesized from a designed monomer with imidazolium functional groups. The iPAF-1 exhibits the highest dibenzothiophene uptake among all reported adsorptive desulphurization adsorbents. The so-called precursor designed synthetic route provides the stoichiometric and homogeneous introduction of desired functional groups into the framework. Molecular dynamics simulation was performed to understand the structure and the desulphurization process within the amorphous iPAF-1. The insight into the key role of the moderate bonding interaction between the adsorbate and the functional groups of iPAF-1 for improved uptake is highlighted in this work.
一种离子型多孔芳香骨架材料iPAF-1，是由一种带有咪唑鎓官能团的设计单体成功合成的。在所有已报道的吸附脱硫吸附剂中，iPAF-1对二苯并噻吩的吸附量最高。所谓的前体设计合成路线能够将所需官能团以化学计量比且均匀地引入到骨架中。进行了分子动力学模拟，以了解非晶态iPAF-1的结构和脱硫过程。这项工作突出了对吸附质与iPAF-1官能团之间适度键合相互作用在提高吸附量方面的关键作用的深入理解。
