Li Zhidong, Wu Jianzhong
Department of Chemical and Environmental Engineering, University of California, Riverside, California 92521-0444, USA.
Phys Rev Lett. 2006 Feb 3;96(4):048302. doi: 10.1103/PhysRevLett.96.048302. Epub 2006 Feb 2.
We report a nonlocal density functional theory of polyelectrolyte solutions that faithfully accounts for both short- and long-range correlations neglected in a typical mean-field method. It is shown that for systems with strong electrostatic interactions, the long-range correlations are subdued by direct Coulomb attractions, thereby manifesting strong local excluded-volume effects. The theory has also been used to describe the influence of the polyion chain length and small ion valence on charge inversion due to the adsorption of polyelectrolytes at an oppositely charged surface.
我们报告了一种聚电解质溶液的非局部密度泛函理论，该理论忠实地考虑了典型平均场方法中忽略的短程和长程相关性。结果表明，对于具有强静电相互作用的系统，长程相关性被直接的库仑吸引力抑制，从而表现出强烈的局部排斥体积效应。该理论还被用于描述聚离子链长度和小离子价态对聚电解质在带相反电荷表面吸附引起的电荷反转的影响。
