Rational preparation of dibenzothiophene-imprinted polymers by surface imprinting technique combined with atom transfer radical polymerization
Rational preparation of dibenzothiophene-imprinted polymers by surface imprinting technique combined with atom transfer radical polymerization
复制标题
DOI：
10.1016/j.apsusc.2013.06.063
复制
发表时间：
2013-10
影响因子：
6.7
通讯作者：
Wenming Yang;Lukuan Liu;Zhiping Zhou;Hong Liu;B. Xie;Wanzhen Xu
中科院分区：
文献类型：
--
作者：
Wenming Yang;Lukuan Liu;Zhiping Zhou;Hong Liu;B. Xie;Wanzhen Xu
介绍了一种分子印迹聚合物二苯并噻吩-单体预组装系统的计算模拟方法。从结合能和空间位置分布两方面讨论了二苯并噻吩与单体的相互作用类型和强度。模拟和分析结果表明，在制备分子印迹聚合物时，功能单体的用量并不是越多越好。在此基础上，采用表面印迹技术结合原子转移自由基聚合制备了具有良好吸附效果的二苯并噻吩印迹聚合物。该组合工艺首次用于制备脱硫吸附剂。选择了各种方法来表征所制备的吸附剂的结构和形态。表征结果表明，该吸附剂具有适合进一步吸附的特性。通过一系列静态吸附实验对其吸附性能进行了分析。吸附过程符合Elovich模型（动力学分析）和Sips方程（等温分析）。我们所描述的方法将为深度脱硫领域提供另一个机会。
A computational simulation method is introduced to simulate the dibenzothiophene-monomer pre-assembly system of molecular imprinted polymers. The interaction type and intensity between dibenzothiophene and monomer are discussed from the binding energy and spatial position distribution. The simulation and analysis results indicate that the amount of the function monomer is not the more the better in preparing molecular imprinted polymers. Based on the above results, a novel dibenzothiophene-imprinted polymers with the favorable specific adsorption effect was prepared by surface imprinting technique combined with atom transfer radical polymerization. This combined technologies are used for preparing a desulfurization adsorbent for the first time. Various measures were selected to characterize the structure and morphology of the prepared adsorbent. The characterization results show that the adsorbent has suitable features for further adsorption process. A series of static adsorption experiments were conducted to analyze its adsorption performance. The adsorption process follows Elovich model by the kinetic analysis and Sips equation by the isothermal analysis. The approach we described will provide another opportunity in the deep desulfurization field.