To separate acetophenone (AP) and 1-phenylethanol (PE), a kind of cost-effective β-cyclodextrin based polymeric sorbent (CE-CDP) was constructed by crosslinking β-cyclodextrin with toluene-2,4-diisocyanate trimer. According to the characteristic results, the structure of the CE-CDP consisting of β-cyclodextrin cavity, aromatic urethane bond and unique isocyanurate ring was proved substantially. It was shown that crosslinking process would enhance the thermal stability, and the incorporation of the unique crosslinking units into CE-CDP's network potentially improved the selective adsorption performance compared to analogous polymer with non-isocyanurate ring structure. The static adsorption performance of CE-CDP in single solute system was investigated. The adsorption capacity of AP was much higher than that of PE, indicating that CE-CDP exhibits much stronger affinity toward AP over PE. Based on the results, we found that the spontaneous adsorption processes of AP and PE onto CE-CDP could be well described by pseudo-second order kinetics, Langmuir and Freundlich isotherm models. And the preferential AP adsorption over PE (selectivity≈6) was further verified through binary competitive adsorption. In addition, the density functional theory calculations showed that the coexistence of β-cyclodextrin cavity, aromatic urethane bond and isocyanurate ring endows CE-CDP with high AP adsorption capacity and selectivity. The theoretical results also indicated that the noncovalent interactions involving the intermolecular hydrogen bonding, π-π interactions and electrostatic interaction are favorable for binding AP rather than PE. In conclusion, CE-CDP was proved to be a good adsorbent for selective separation of AP and PE with mass producibility, low cost, high reusability and wide application prospect.

为了分离苯乙酮（AP）和1-苯乙醇（PE），通过将β-环糊精与甲苯-2,4-二异氰酸酯三聚体交联，构建了一种经济高效的β-环糊精基聚合物吸附剂（CE-CDP）。根据特征结果，证明了由β-环糊精腔，芳族氨基甲酸酯键和独特的异氰脲酸酯环组成的CE-CDP的结构。结果表明，交联过程将提高热稳定性，并且与具有非异氰脲酸酯环结构的类似聚合物相比，将独特的交联单元并入CE-CDP网络中可能会提高选择性吸附性能。研究了CE-CDP在单溶质体系中的静态吸附性能。AP的吸附能力比PE高得多，表明CE-CDP对AP的亲和力比PE高。根据结果​​，我们发现，伪二级动力学，Langmuir和Freundlich等温模型可以很好地描述AP和PE在CE-CDP上的自发吸附过程。通过二元竞争吸附进一步验证了AP对PE的优先吸附（选择性≈6）。此外，密度泛函理论计算表明，β-环糊精腔，芳族氨基甲酸酯键和异氰脲酸酯环的共存使CE-CDP具有较高的AP吸附能力和选择性。理论结果还表明，涉及分子间氢键，π-π相互作用和静电相互作用的非共价相互作用有利于结合AP，而不是PE。综上所述，