The effect of ionic size on polyion-small ion distributions in a cylindrical double layer
The structure of an electrolyte surrounding an isolated, cylindrical polyion - the cylindrical double layer - is studied using a density functional approach and the modified Poisson Boltzmann theory. The polyion is modelled as an infinitely long, rigid, and impenetrable charged cylinder, while the e...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Institute for Condensed Matter Physics
2005-01-01
|
| Series: | Condensed Matter Physics |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.5488/CMP.8.2.425 |
| _version_ | 1811330791568834560 |
|---|---|
| author | C.N.Patra L.B.Bhuiyan |
| author_facet | C.N.Patra L.B.Bhuiyan |
| author_sort | C.N.Patra |
| collection | DOAJ |
| description | The structure of an electrolyte surrounding an isolated, cylindrical polyion - the cylindrical double layer - is studied using a density functional approach and the modified Poisson Boltzmann theory. The polyion is modelled as an infinitely long, rigid, and impenetrable charged cylinder, while the electrolyte consists of rigid ions moving in a dielectric continuum. The results for the zeta potential, polyion-small ion distribution, and the mean electrostatic potential are obtained for a wide range of physical conditions including three different ionic diameters of 2, 3, and 4·10<sup>-10</sup> m. The zeta potentials show a maximum or a minimum with respect to the polyion surface charge density for a divalent counterion. The polyion-ion distributions and the mean electrostatic potential profiles show considerable variations with the concentration of the electrolyte, the valency of the ions constituting the electrolyte, and the ionic size. The theories are seen to be generally consistent with each other overall, and are capable of predicting the charge inversion phenomenon - a feature, which is completely absent in the classical Poisson-Boltzmann theory. Moreover, the theories reproduce well some Monte Carlo results (for ion distributions) from the literature. |
| first_indexed | 2024-04-13T16:08:17Z |
| format | Article |
| id | doaj.art-a1b142cf6a394aa0b78057530fbc6116 |
| institution | Directory Open Access Journal |
| issn | 1607-324X |
| language | English |
| last_indexed | 2024-04-13T16:08:17Z |
| publishDate | 2005-01-01 |
| publisher | Institute for Condensed Matter Physics |
| record_format | Article |
| series | Condensed Matter Physics |
| spelling | doaj.art-a1b142cf6a394aa0b78057530fbc61162022-12-22T02:40:20ZengInstitute for Condensed Matter PhysicsCondensed Matter Physics1607-324X2005-01-018242544610.5488/CMP.8.2.425The effect of ionic size on polyion-small ion distributions in a cylindrical double layerC.N.PatraL.B.BhuiyanThe structure of an electrolyte surrounding an isolated, cylindrical polyion - the cylindrical double layer - is studied using a density functional approach and the modified Poisson Boltzmann theory. The polyion is modelled as an infinitely long, rigid, and impenetrable charged cylinder, while the electrolyte consists of rigid ions moving in a dielectric continuum. The results for the zeta potential, polyion-small ion distribution, and the mean electrostatic potential are obtained for a wide range of physical conditions including three different ionic diameters of 2, 3, and 4·10<sup>-10</sup> m. The zeta potentials show a maximum or a minimum with respect to the polyion surface charge density for a divalent counterion. The polyion-ion distributions and the mean electrostatic potential profiles show considerable variations with the concentration of the electrolyte, the valency of the ions constituting the electrolyte, and the ionic size. The theories are seen to be generally consistent with each other overall, and are capable of predicting the charge inversion phenomenon - a feature, which is completely absent in the classical Poisson-Boltzmann theory. Moreover, the theories reproduce well some Monte Carlo results (for ion distributions) from the literature.http://dx.doi.org/10.5488/CMP.8.2.425cylindrical double layerstructuredensity functional theorymodified Poisson-Boltzmann |
| spellingShingle | C.N.Patra L.B.Bhuiyan The effect of ionic size on polyion-small ion distributions in a cylindrical double layer Condensed Matter Physics cylindrical double layer structure density functional theory modified Poisson-Boltzmann |
| title | The effect of ionic size on polyion-small ion distributions in a cylindrical double layer |
| title_full | The effect of ionic size on polyion-small ion distributions in a cylindrical double layer |
| title_fullStr | The effect of ionic size on polyion-small ion distributions in a cylindrical double layer |
| title_full_unstemmed | The effect of ionic size on polyion-small ion distributions in a cylindrical double layer |
| title_short | The effect of ionic size on polyion-small ion distributions in a cylindrical double layer |
| title_sort | effect of ionic size on polyion small ion distributions in a cylindrical double layer |
| topic | cylindrical double layer structure density functional theory modified Poisson-Boltzmann |
| url | http://dx.doi.org/10.5488/CMP.8.2.425 |
| work_keys_str_mv | AT cnpatra theeffectofionicsizeonpolyionsmalliondistributionsinacylindricaldoublelayer AT lbbhuiyan theeffectofionicsizeonpolyionsmalliondistributionsinacylindricaldoublelayer AT cnpatra effectofionicsizeonpolyionsmalliondistributionsinacylindricaldoublelayer AT lbbhuiyan effectofionicsizeonpolyionsmalliondistributionsinacylindricaldoublelayer |