Adsorption of ions on surfaces modified with brushes of polyampholytes

We apply density functional theory to study adsorption of ions, treated in the framework of the restricted primitive model (RPM), on surfaces modified by tethered polyampholytes. The residual electrostatic contribution to the free energy functional is approximated by using the approach proposed by W...

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Bibliographic Details
Published in:The Journal of chemical physics 2012-08, Vol.137 (7), p.074707-074707
Main Authors: Borówko, M, Sokołowski, S, Staszewski, T, Sokołowska, Z, Ilnytskyi, J M
Format: Article
Language:English
Subjects:
Adsorption
Approximation
Concentrates
Density functional theory
Free energy
Ions - chemistry
Polyampholytes
Polymers - chemistry
Quantum Theory
Surface chemistry
Surface layer
Surface Properties
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Summary:We apply density functional theory to study adsorption of ions, treated in the framework of the restricted primitive model (RPM), on surfaces modified by tethered polyampholytes. The residual electrostatic contribution to the free energy functional is approximated by using the approach proposed by Wang et al. [J. Phys.: Condens. Matter 23, 175002 (2011)] for simple nonuniform RPMs systems. Our research concentrates on the problems how the distribution of the charges within chains of polyampholytes changes the selectivity of adsorption of ions species, the structure of the surface layer, and its electric properties.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4745200