Electrostatics of Colloidal Particles Confined in Nanochannels: Role of Double-Layer Interactions and Ion-Ion Correlations
| Autor: | Sidhu, Inderbir S., Frischknecht, Amalie L., Atzberger, Paul J. |
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| Rok vydání: | 2017 |
| Předmět: | |
| Zdroj: | ACS Omega 3 (9), (2018) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1021/acsomega.8b01393 |
| Popis: | We perform computational investigations of electrolyte-mediated interactions of charged colloidal particles confined within nanochannels. We investigate the role of discrete ion effects, valence, and electrolyte strength on colloid-wall interactions. We find for some of the multivalent charge regimes that the like-charged colloids and walls can have attractive interactions. We study in detail these interactions and the free energy profile for the colloid-wall separation. We find there are energy barriers and energy minima giving preferred colloid locations in the channel near the center and at a distance near to but separated from the channel walls. We characterize contributions from surface overcharging, condensed layers, and overlap of ion double-layers. We perform our investigations using Coarse-Grained Brownian Dynamics simulations (BD), classical Density Functional Theory (cDFT), and mean-field Poisson-Boltzmann Theory (PB). We discuss the implications of our results for phenomena in nanoscale devices. Comment: 23 figures |
| Databáze: | arXiv |
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