带相反电荷的球形表面对聚电解质链的包埋。
Encapsulation of a polyelectrolyte chain by an oppositely charged spherical surface.
机构信息
Polymer Science and Engineering Department, University of Massachusetts, Amherst, Massachusetts 01003, USA.
出版信息
J Chem Phys. 2011 Nov 21;135(19):194901. doi: 10.1063/1.3662069.
Using the ground state dominance approximation and a variational theory, we study the encapsulation of a polyelectrolyte chain by an oppositely charged spherical surface. The electrostatic attraction between the polyelectrolyte and the surface and the entropy loss of the encapsulated polyelectrolyte chain dictate the optimum conditions for encapsulation. Two scenarios of encapsulation are identified: entropy-dominated and adsorption-dominated encapsulation. In the entropy-dominated encapsulation regime, the polyelectrolyte chain is delocalized, and the optimum radius of the encapsulating sphere decreases with increasing the attraction. In the adsorption-dominated encapsulation regime, the polyelectrolyte chain is strongly localized near the surface, and the optimum radius increases with increasing the attraction. After identifying a universal encapsulation parameter, the dependencies of the optimum radius on the salt concentration, surface charge density, polymer charge density, and polymer length are explored.
使用基态主导近似和变分理论，我们研究了带相反电荷的球形表面对聚电解质链的包封。聚电解质与表面之间的静电吸引和被包封聚电解质链的熵损失决定了包封的最佳条件。确定了两种包封情况：熵主导包封和吸附主导包封。在熵主导的包封体系中，聚电解质链是无规的，并且最佳的包封球半径随吸引力的增加而减小。在吸附主导的包封体系中，聚电解质链在表面附近强烈局部化，最佳半径随吸引力的增加而增加。在确定了一个通用的包封参数后，我们探讨了最佳半径对盐浓度、表面电荷密度、聚合物电荷密度和聚合物长度的依赖性。
Zotero 插件