Giant charge inversion of a macroion due to multivalent counterions and monovalent coions: Molecular dynamics study

Motohiko Tanaka; A. Yu Grosberg

doi:10.1063/1.1377033

Giant charge inversion of a macroion due to multivalent counterions and monovalent coions: Molecular dynamics study

Motohiko Tanaka, A. Yu Grosberg

Research output: Contribution to journal › Article › peer-review

Abstract

Molecular dynamics simulation of the system consisting of an immobile macroion surrounded by the electrolyte of monovalent coions and multivalent counterions was reported. Coulomb interactions stronger than thermal energy and multivalently charge counterions were found to be necessary for charge inversion. Coion condensation on the multivalent counterions similar to Bjerrum pairing was found to be the major factor restricting the charge inversion. The results obtained were found to be consistent with the theory of `giant charge inversion'.

Original language	English (US)
Pages (from-to)	567-574
Number of pages	8
Journal	Journal of Chemical Physics
Volume	115
Issue number	1
DOIs	https://doi.org/10.1063/1.1377033
State	Published - Jul 1 2001

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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abstract = "Molecular dynamics simulation of the system consisting of an immobile macroion surrounded by the electrolyte of monovalent coions and multivalent counterions was reported. Coulomb interactions stronger than thermal energy and multivalently charge counterions were found to be necessary for charge inversion. Coion condensation on the multivalent counterions similar to Bjerrum pairing was found to be the major factor restricting the charge inversion. The results obtained were found to be consistent with the theory of `giant charge inversion'.",

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AB - Molecular dynamics simulation of the system consisting of an immobile macroion surrounded by the electrolyte of monovalent coions and multivalent counterions was reported. Coulomb interactions stronger than thermal energy and multivalently charge counterions were found to be necessary for charge inversion. Coion condensation on the multivalent counterions similar to Bjerrum pairing was found to be the major factor restricting the charge inversion. The results obtained were found to be consistent with the theory of `giant charge inversion'.

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Giant charge inversion of a macroion due to multivalent counterions and monovalent coions: Molecular dynamics study

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