6533b830fe1ef96bd1297a3c

RESEARCH PRODUCT

Experimental and theoretical evidence of overcharging of calcium silicate hydrate

André NonatChristophe LabbezIsabelle PochardBo Jönsson

subject

Surface PropertiesAnalytical chemistry02 engineering and technology010402 general chemistry01 natural sciencesBiomaterialsElectrokinetic phenomenachemistry.chemical_compoundColloid and Surface ChemistryZeta potentialElectrochemistrySurface chargeColloidsCalcium silicate hydrateParticle SizeMonte Carlo simulationRange (particle radiation)Physics::Biological PhysicsQuantitative Biology::BiomoleculesCalcium silicate hydrateSilicatesWaterZeta potentialCalcium Compounds021001 nanoscience & nanotechnologyElectrostatics0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic Materials[ PHYS.PHYS.PHYS-CHEM-PH ] Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]ElectrophoresisKineticschemistryModels ChemicalChemical physicsSurface charge titrationOverchargingCalcium silicateNanoparticles[PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]0210 nano-technologyMonte Carlo Method

description

International audience; Electrokinetic measurements such as electrophoresis may show an inversion of the effective surface charge of colloidal particle called overcharging. This phenomenon has been studied by various theoretical approaches but up to now very few attempts of confrontation between theory and experiment have been conducted. In this work we report electrophoretic measurements as well as Monte Carlo simulations of the electrokinetic potential for the surface of calcium silicate hydrate (Csingle bondSsingle bondH), which is the major constituent of hydrated cement. In the simulations, the surface charge of Csingle bondSsingle bondH nanoparticles in equilibrium with the ionic solution is determined by a single site characteristic and electrostatic interactions between all explicit charges at the surface and in the electric double layer. We will show that ordinary electrostatic interactions are enough to describe all experimental observations. Actually, an excellent agreement is found between experimental and simulated results without any fitting parameter, both with respect to surface titration and electrokinetic behaviour. The agreement extends over a wide range of electrostatic coupling, from a weakly charged surface with mainly monovalent counter-ions to a highly charged one with divalent counter-ions.

10.1016/j.jcis.2007.02.048https://hal.archives-ouvertes.fr/hal-00402986