UNIGE document Scientific Article
previous document  unige:90030  next document
add to browser collection
Title

Dynamics of ions in model charged porous media: Influence of polyelectrolytes

Authors
Jardat, Marie
Dahirel, Vincent
Published in Journal of Molecular Liquids. 2016
Abstract 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.
Keywords Brownian dynamics simulationSelf-diffusion coefficientsPolyelectrolytesSmall ions
Identifiers
Full text
Structures
Research group Environmental Physical Chemistry
Citation
(ISO format)
JARDAT, Marie, DAHIREL, Vincent, CARNAL, Fabrice. Dynamics of ions in model charged porous media: Influence of polyelectrolytes. In: Journal of Molecular Liquids, 2016. https://archive-ouverte.unige.ch/unige:90030

70 hits

1 download

Update

Deposited on : 2016-12-07

Export document
Format :
Citation style :