Institut für Nichtklassische Chemie e.V., Universität Leipzig, Leipzig, Germany.
National Research University Higher School of Economics, Department of Applied Mathematics, Moscow, Russia.
Soft Matter. 2017 Jun 21;13(24):4363-4369. doi: 10.1039/c7sm00417f.
The paper presents a theoretical approach for describing the influence of an electric field on the conformation of an electrically neutral dielectric polymer chain dissolved in a dielectric solvent with an admixture of a target compound. Each monomer and each molecule of the target compound carries positive excess polarizability and the solvent is described as a continuous dielectric medium. The model is based on the Flory-type mean-field theory. We demonstrate non-monotonic dependences of the expansion factor and the concentration of the target compound on the strength of the electric field and molecular polarizability. Namely, the target compound concentration in the internal polymer volume as a function of electric field strength has pronounced maxima if the molecules are polarizable. In addition, the expansion factor of the non-polarizable polymer chain can be controlled by the electric field. The dependences of the expansion factor and target compound concentration on the monomer polarizability exhibit minima and intersection points. The intersection points correspond to the equality of dielectric permittivities in the bulk solution and in the internal polymer volume.
本文提出了一种理论方法，用于描述电场对溶解在介电溶剂中的电中性介电聚合物链构象的影响，其中含有目标化合物的混合物。每个单体和目标化合物的每个分子都具有正的过剩极化率，而溶剂被描述为连续的介电介质。该模型基于 Flory 型平均场理论。我们证明了膨胀因子和目标化合物浓度对电场强度和分子极化率的非单调依赖性。也就是说，如果分子是极化的，那么目标化合物在聚合物内部体积中的浓度与电场强度呈显著最大值。此外，非极化聚合物链的扩展因子可以通过电场进行控制。扩展因子和目标化合物浓度对单体极化率的依赖性表现出最小值和交点。交点对应于本体溶液和内部聚合物体积中的介电常数相等。
