2024-03-29T00:55:49Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/214952016-02-16T06:34:08Zcom_10261_46com_10261_3col_10261_299
DIGITAL.CSIC
author
Calero, Carles
author
Faraudo, Jordi
2010-02-23T13:04:46Z
2010-02-23T13:04:46Z
2009-10-09
Physical Review - Section E - Statistical Nonlinear and Soft Matter Physics 80(4): 042601 (2009)
1539-3755
http://hdl.handle.net/10261/21495
10.1103/PhysRevE.80.042601
In this Brief Report, we perform molecular-dynamics simulations of an interface containing charged functional groups of different valences in contact with 2:1 ionic solution. We take into account both the finite sizes of the ions in solution and the functional groups but we neglect the structural details of the solvent (primitive model). We show that the interaction between a charged interface (of given surface charge density) and electrolyte depends strongly on the individual charges of the interfacial groups originating the surface charge. In particular, we show that charge inversion (i.e., interfacial charges attracting counterions in excess of their own nominal charge) is enhanced by the presence of multivalent interfacial groups (such as certain phospholipids). Overall, our results reveal that in primitive models of the ion-interface interaction not only the ionic size and valence are important but also the size and valence of the interfacial charged groups have a significant impact.
eng
openAccess
Enhancement of charge inversion by multivalent interfacial groups
artÃculo
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https://digital.csic.es/bitstream/10261/21495/1/e042601.pdf
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https://digital.csic.es/bitstream/10261/21495/4/e042601.pdf.txt
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e042601.pdf.txt