Dynamics of ions in model charged porous media: Influence of polyelectrolytes
| Autor: | Fabrice Carnal, Marie Jardat, Vincent Dahirel |
|---|---|
| Přispěvatelé: | PHysicochimie des Electrolytes et Nanosystèmes InterfaciauX (PHENIX), Université Pierre et Marie Curie - Paris 6 (UPMC)-Ecole Superieure de Physique et de Chimie Industrielles de la Ville de Paris (ESPCI Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institute F.-A. Forel, Université de Genève = University of Geneva (UNIGE), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), University of Geneva [Switzerland] |
| Jazyk: | francouzština |
| Rok vydání: | 2017 |
| Předmět: |
Diffusion
Nanotechnology 02 engineering and technology Brownian dynamics simulation 010402 general chemistry Self-diffusion coefficients 01 natural sciences Ion symbols.namesake Phase (matter) Materials Chemistry ddc:550 [CHIM]Chemical Sciences Physical and Theoretical Chemistry Porosity Spectroscopy Debye length Quantitative Biology::Biomolecules Chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics Small ions Polyelectrolytes Atomic and Molecular Physics and Optics Polyelectrolyte 0104 chemical sciences Electronic Optical and Magnetic Materials Condensed Matter::Soft Condensed Matter Chemical physics symbols Brownian dynamics 0210 nano-technology Porous medium |
| Zdroj: | Journal of Molecular Liquids, Vol. 228 (2017) pp. 224-229 Journal of Molecular Liquids Journal of Molecular Liquids, 2016, ⟨10.1016/j.molliq.2016.10.054⟩ Journal of Molecular Liquids, Elsevier, 2016, ⟨10.1016/j.molliq.2016.10.054⟩ |
| ISSN: | 0167-7322 |
| Popis: | International audience; We have studied by means of Brownian dynamics simulations the dynamics of small ions in model charged porous media. We have focused on the influence on this dynamics of short polyelectrolytes with the same charge sign as the solid phase. We have compared the self-diffusion coefficients of counterions of four families of systems with different compositions (presence or not of charged obstacles and of polyelectrolytes). Our main result is that the presence of polyelectrolytes only modulates a behavior we had already observed before: In the domain where the porosity is relatively high compared to the Debye length, diffusion coefficients of counterions increase when the porosity decreases. Moreover, we have shown that, in the systems investigated here without charges on obstacles, the self-diffusion of counterions is mostly affected by the presence of polyelectrolytes and not by concentration effects, contrarily to co-ions. Also, we have seen that even if the density of the probability of presence of counterions in the vicinity of polyelectrolytes is much higher than that on obstacles, the residence time of ions around polyelectrolytes is shorter than around charged obstacles. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect