The role of hydrogen bonding in nanocolloidal amorphous silica particles in electrolyte solutions

Jenkins, Samantha; Kirk, Steven R.; Persson, Michael; Carlen, J.; Abbas, Zareen

doi:10.1016/j.jcis.2009.07.069

Cited by 12 publications

(1 citation statement)

References 53 publications

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“…Our results have shown that water arrangement does indeed play a central role in the energetics and structural properties of these systems. For silica nanoparticles in aqueous electrolyte media, these complex and broad effects at interfaces can be exemplified by the work of Jenkins et al [35][36][37], where the interaction of nanoparticles within aqueous media were considered for monovalent electrolyte concentrations. In their work, surface deprotonated sites generated charged surfaces.…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics studies of aqueous silica nanoparticle dispersions: salt effects on the double layer formation

Lara

Rigo

Michelon

et al. 2015

J. Phys.: Condens. Matter

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The ion distribution around hydroxylated silica nanoparticles (NP-H) dispersed in brine was investigated by fully atomistic molecular dynamics. The NP-H dispersions in aqueous electrolyte media are simulated in solutions of varying salinity (NaCl, CaCl2, and MgCl2), salt concentration (0.06 × 10(-3) to 3.00 × 10(-3) mole fraction [Formula: see text]), and temperature (300 and 350 K) at 1 atm. The NP-H models reproduce the observed experimental concentration of silanol and geminal surface sites, which are responsible for local charge variations on the nanoparticles' surface. Interestingly, under certain salt concentration conditions, the formation of an electrical double layer (DL) around the overall neutral NP-H occurs. The resulting DLs are attenuated with increasing temperature for all evaluated salts. With increasing salt concentration, a sign inversion of the effective charge at the first ion layer is observed, which modifies the electrostatic environment around the nanoparticle. The minimum salt concentration that leads to a DL formation at 300 K is 1.05 × 10(-3), 0.37 × 10(-3), and 0.06 × 10(-3) χs for NaCl, CaCl2, and MgCl2, respectively. The width of the DL decreases sequentially in ionic strength from NaCl to CaCl2 to MgCl2, which is similar to that found for highly charged surfaces. These results are in line with our previous experimental data for negative charged NP-H. All together, these observations suggest an interplay mechanism between the formation and narrowing of electric double layers on the stability of NP dispersions in both neutral and negatively charged NP-H.

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Section: Introductionmentioning

confidence: 99%

Molecular dynamics studies of aqueous silica nanoparticle dispersions: salt effects on the double layer formation

Lara

Rigo

Michelon

et al. 2015

J. Phys.: Condens. Matter

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show abstract

Nanosensor for dopamine and glutathione based on the quenching and recovery of the fluorescence of silica-coated quantum dots

2012

Microchim Acta

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Dynamics of induced glass transition of porous and nonporous silica nanoparticles

Sharma

Farah

2017

J Therm Anal Calorim

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The role of hydrogen bonding in nanocolloidal amorphous silica particles in electrolyte solutions

Cited by 12 publications

References 53 publications

Molecular dynamics studies of aqueous silica nanoparticle dispersions: salt effects on the double layer formation

Molecular dynamics studies of aqueous silica nanoparticle dispersions: salt effects on the double layer formation

Nanosensor for dopamine and glutathione based on the quenching and recovery of the fluorescence of silica-coated quantum dots

Dynamics of induced glass transition of porous and nonporous silica nanoparticles

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