6533b822fe1ef96bd127d7a7
RESEARCH PRODUCT
Ion-ion correlation and charge reversal at titrating solid interfaces
Bo JönssonMichal BorkovecMichal SkarbaChristophe Labbezsubject
Monte Carlo methodFOS: Physical sciencesBinary compoundThermodynamics02 engineering and technologyCondensed Matter - Soft Condensed Matter010402 general chemistry01 natural sciencesIonchemistry.chemical_compoundComputational chemistryElectrochemistryTheoretical chemistryGeneral Materials ScienceSurface chargeSpectroscopyCondensed Matter - Statistical Mechanicschemistry.chemical_classificationStatistical Mechanics (cond-mat.stat-mech)Charge (physics)Surfaces and Interfaces021001 nanoscience & nanotechnologyCondensed Matter Physics0104 chemical sciences[ PHYS.PHYS.PHYS-CHEM-PH ] Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]chemistryddc:540Soft Condensed Matter (cond-mat.soft)Titration[PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]Counterion0210 nano-technologydescription
Confronting grand canonical titration Monte Carlo simulations (MC) with recently published titration and charge reversal (CR) experiments on silica surfaces by Dove et al. and van der Heyden it et al, we show that ion-ion correlations quantitatively explain why divalent counterions strongly promote surface charge which, in turn, eventually causes a charge reversal (CR). Titration and CR results from simulations and experiments are in excellent agreement without any fitting parameters. This is the first unambiguous evidence that ion-ion correlations are instrumental in the creation of highly charged surfaces and responsible for their CR. Finally, we show that charge correlations result in "anomalous" charge regulation in strongly coupled conditions in qualitative desagreement with its classical treatment.
year | journal | country | edition | language |
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2009-06-10 |