Study on the adsorption mechanism of benzoylurea insecticides onto modified hyperbranched polysilicon materials.
Study on the adsorption mechanism of benzoylurea insecticides onto modified hyperbranched polysilicon materials.
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改性超支化多晶硅材料对苯甲酰脲类杀虫剂的吸附机理研究
作者：
设计合成了几种不同端基修饰的超支化多晶硅材料，并对其结构进行了表征。将改性HBPS聚合物应用于苯甲酰脲类杀虫剂的吸附。量化了HBPS与BUs的结合模式和结合能，并通过计算和相互验证验证了吸附动力学研究和吸附热力学实验的结果。讨论了BUs在HBPS上的吸附机理。理论结果表明，当端基为氨基时，通过氢键与吸附剂结合是最有效的方法。此外，当端基为β-环糊精时，最有效的组合是BUs与腔腔内部相互作用形成主客体涂层。得到了其他端基改性HBPS材料的理论结果，并通过吸附实验进行了验证。本文建立了一种通过理论计算得到结合模式，再通过吸附实验进行验证的实验方法。
Several hyperbranched polysilicon (HBPS) materials with different end group modifications were designed and synthesized and the structures were characterized. The modified HBPS polymers were applied to the adsorption of benzoylurea insecticides (BUs). The binding mode and binding energy between the HBPS and BUs were quantified and the results of an adsorption kinetics study and an adsorption thermodynamics experiment were verified by calculation and mutual verification. The adsorption mechanism of BUs onto HBPS was also discussed. The theoretical results show that the most effective way to combine the adsorbent and BUs is via hydrogen bonding when the end group is an amino group. Moreover, the most effective combination when the end group is β-cyclodextrin is the interaction of the BUs with the interior of the cavity to form a host–guest coating. The theoretical results of other end group-modified HBPS materials were also obtained and verified by adsorption experiments. In this work, an experimental method for obtaining the binding mode by theoretical calculations and then verifying it according to adsorption experiments was established.
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