2003/03/31 by Motohiko Tanaka
Chemistry · Earth and Planetary Sciences · Physics and Astronomy · #Charge density #Chemical physics #Chemistry #Chromatography #Computational chemistry #Counterion #Electrophoresis #Electrostatics and Colloid Interactions #Geophysical and Geoelectrical Methods #Ion #Ionic bonding #Ionic potential #Ionic radius #Materials science #Molecular dynamics #Molecular physics #Physical chemistry #Physics #Spectroscopy and Quantum Chemical Studies #Surface charge #Valence (chemistry) #cond-mat.mtrl-sci #cond-mat.soft
paper · pdf · doi:10.1103/physreve.68.061501
9 pages, 9 figures (two in color). Physical Review E, in press
arxiv created 2003/09/16 · openalex publication_date 2003/12/11 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
The charge inversion phenomenon is studied by molecular dynamics simulations, focusing on size and valence asymmetric salts, and a threshold of surface charge density for charge inversion. The charge inversion criteria by the electrophoretic mobility and the radial distribution functions of ions coincide except around the charge inversion threshold. The reversed electrophoretic mobility increases with the ratio of coion to counterion radii, a(-)/a(+), while it decreases with the ratio of coion to counterion valences, Z(-)/Z(+). The monovalent salt enhances charge inversion of a strongly charged macroion at small salt ionic strength, while it reduces reversed mobility otherwise. A cylindrical macroion is more persistent to monovalent salt than a spherical macroion of the same radius and surface charge density.