Document Detail

Effects of image charges, interfacial charge discreteness, and surface roughness on the zeta potential of spherical electric double layers.
MedLine Citation:
PMID:  22830725     Owner:  NLM     Status:  MEDLINE    
We investigate the effects of image charges, interfacial charge discreteness, and surface roughness on spherical electric double layer structures in electrolyte solutions with divalent counterions in the setting of the primitive model. By using Monte Carlo simulations and the image charge method, the zeta potential profile and the integrated charge distribution function are computed for varying surface charge strengths and salt concentrations. Systematic comparisons were carried out between three distinct models for interfacial charges: (1) SURF1 with uniform surface charges, (2) SURF2 with discrete point charges on the interface, and (3) SURF3 with discrete interfacial charges and finite excluded volume. By comparing the integrated charge distribution function and the zeta potential profile, we argue that the potential at the distance of one ion diameter from the macroion surface is a suitable location to define the zeta potential. In SURF2 model, we find that image charge effects strongly enhance charge inversion for monovalent interfacial charges, and strongly suppress charge inversion for multivalent interfacial charges. For SURF3, the image charge effect becomes much smaller. Finally, with image charges in action, we find that excluded volumes (in SURF3) suppress charge inversion for monovalent interfacial charges and enhance charge inversion for multivalent interfacial charges. Overall, our results demonstrate that all these aspects, i.e., image charges, interfacial charge discreteness, their excluding volumes, have significant impacts on zeta potentials of electric double layers.
Zecheng Gan; Xiangjun Xing; Zhenli Xu
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Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't    
Journal Detail:
Title:  The Journal of chemical physics     Volume:  137     ISSN:  1089-7690     ISO Abbreviation:  J Chem Phys     Publication Date:  2012 Jul 
Date Detail:
Created Date:  2012-07-26     Completed Date:  2012-11-27     Revised Date:  2012-12-31    
Medline Journal Info:
Nlm Unique ID:  0375360     Medline TA:  J Chem Phys     Country:  United States    
Other Details:
Languages:  eng     Pagination:  034708     Citation Subset:  IM    
Department of Mathematics, Shanghai Jiao Tong University, Shanghai 200240, China.
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MeSH Terms
Colloids / chemistry*
Electrolytes / chemistry*
Models, Chemical
Models, Molecular
Monte Carlo Method
Static Electricity
Surface Properties
Reg. No./Substance:
0/Colloids; 0/Electrolytes
Erratum In:
J Chem Phys. 2012 Oct 28;137(16):169901

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine

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