Electrokinetic and hydrodynamic properties of charged-particles systems

Nägele, Gerhard; Heinen, Marco; Banchio, Adolfo J.; Contreras-Aburto, Claudio

doi:10.1140/epjst/e2013-02062-3

Cited by 15 publications

(16 citation statements)

References 113 publications

(141 reference statements)

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“…Moreover, aggregation of uncharged particles will be more favorable compared to charged particles, where higher charges may lead to behavior like charge-stabilized colloids. 111 − 113 Potentially, such behavior was observed here ( Figure 4 ), where particles predominantly remained below 10 nm at r aq ≠ 1. Further investigations of particle charging behavior is needed to confirm or rule out this hypothesis, but it can be envisaged that, when at increasing Ω more smaller particles form and/or dense liquid separation occurs, 114 − 116 the influence of nonstoichiometry on particle surface charge decreases.…”

Section: Results and Discussionsupporting

confidence: 65%

Controlling CaCO₃Particle Size with {Ca²⁺}:{CO₃^2–} Ratios in Aqueous Environments

Seepma

Ruiz‐Hernandez

Nehrke

et al. 2021

Crystal Growth & Design

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The effect of stoichiometry on the new formation and subsequent growth of CaCO 3 was investigated over a large range of solution stoichiometries (10 –4 < r aq < 10 4 , where r aq = {Ca 2+ }:{CO 3 2– }) at various, initially constant degrees of supersaturation (30 < Ω cal < 200, where Ω cal = {Ca 2+ }{CO 3 2– }/ K sp ), pH of 10.5 ± 0.27, and ambient temperature and pressure. At r aq = 1 and Ω cal < 150, dynamic light scattering (DLS) showed that ion adsorption onto nuclei (1–10 nm) was the dominant mechanism. At higher supersaturation levels, no continuum of particle sizes is observed with time, suggesting aggregation of prenucleation clusters into larger particles as the dominant growth mechanism. At r aq ≠ 1 (Ω cal = 100), prenucleation particles remained smaller than 10 nm for up to 15 h. Cross-polarized light in optical light microscopy was used to measure the time needed for new particle formation and growth to at least 20 μm. This precipitation time depends strongly and asymmetrically on r aq . Complementary molecular dynamics (MD) simulations confirm that r aq affects CaCO 3 nanoparticle formation substantially. At r aq = 1 and Ω cal ≫ 1000, the largest nanoparticle in the system had a 21–68% larger gyration radius after 20 ns of simulation time than in nonstoichiometric systems. Our results imply that, besides Ω cal , stoichiometry affects particle size, persistence, growth time, and ripening time toward micrometer-sized crystals. Our results may help us to improve the understanding, prediction, and formation of CaCO 3 in geological, industrial, and geo-engineering settings.

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Section: Results and Discussionsupporting

confidence: 65%

Controlling CaCO₃Particle Size with {Ca²⁺}:{CO₃^2–} Ratios in Aqueous Environments

Seepma

Ruiz‐Hernandez

Nehrke

et al. 2021

Crystal Growth & Design

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“…Finally, the MCT-HIs method can be generalized to strongly size and charge asymmetric polyion solutions where the polyions can be treated as a colloidal macroion species. 81 Examples in case are salty solutions of globular proteins such as apoferritin 82 and bovine serum albumin. 83 For these systems, a first-order expansion of the macroion transport coefficients in terms of the small ratio of macroion and salt ion diffusion coefficients is quite useful.…”

Section: Discussionmentioning

confidence: 99%

A unifying mode-coupling theory for transport properties of electrolyte solutions. II. Results for equal-sized ions electrolytes

Contreras-Aburto

Nägele

2013

The Journal of Chemical Physics

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On the basis of a versatile mode-coupling theory (MCT) method developed in Paper I [C. Contreras Aburto and G. Nägele, J. Chem. Phys. 139, 134109 (2013)], we investigate the concentration dependence of conduction-diffusion linear transport properties for a symmetric binary electrolyte solution. The ions are treated in this method as charged Brownian spheres, and the solvent-mediated ion-ion hydrodynamic interactions are accounted for also in the ion atmosphere relaxation effect. By means of a simplified solution scheme, convenient semi-analytic MCT expressions are derived for the electrophoretic mobilities, and the molar conductivity, of an electrolyte mixture with equal-sized ions. These expressions reduce to the classical Debye-Falkenhagen-Onsager-Fuoss results in the limit of very low ion concentration. The MCT expressions are numerically evaluated for a binary electrolyte, and compared to experimental data and results by another theoretical method. Our analysis encloses, in addition, the electrolyte viscosity. To analyze the dynamic influence of the hydration shell, the significance of mixed slip-stick hydrodynamic surface boundary conditions, and the effect of solvent permeability are explored. For the stick boundary condition employed in the hydrodynamic diffusivity tensors, our theoretical results for the molar conductivity and viscosity of an aqueous 1:1 electrolyte are in good overall agreement with reported experimental data for aqueous NaCl solutions, for concentrations extending even up to two molar.

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“…21,22 In this work, we deal exclusively with liquid systems and implement a simplified solution scheme that has been successfully applied to describe both the self- 23 and collective dynamics of colloids and ions. 13,24 For moderately dense sys-tems, one can make the approximations 19…”

Section: Theorymentioning

confidence: 99%

Long-time self-diffusion of charged spherical colloidal particles in parallel planar layers

Contreras-Aburto

Báez

Méndez‐Alcaraz

et al. 2014

The Journal of Chemical Physics

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The long-time self-diffusion coefficient, D(L), of charged spherical colloidal particles in parallel planar layers is studied by means of Brownian dynamics computer simulations and mode-coupling theory. All particles (regardless which layer they are located on) interact with each other via the screened Coulomb potential and there is no particle transfer between layers. As a result of the geometrical constraint on particle positions, the simulation results show that D(L) is strongly controlled by the separation between layers. On the basis of the so-called contraction of the description formalism [C. Contreras-Aburto, J. M. Méndez-Alcaraz, and R. Castañeda-Priego, J. Chem. Phys. 132, 174111 (2010)], the effective potential between particles in a layer (the so-called observed layer) is obtained from integrating out the degrees of freedom of particles in the remaining layers. We have shown in a previous work that the effective potential performs well in describing the static structure of the observed layer (loc. cit.). In this work, we find that the D(L) values determined from the simulations of the observed layer, where the particles interact via the effective potential, do not agree with the exact values of D(L). Our findings confirm that even when an effective potential can perform well in describing the static properties, there is no guarantee that it will correctly describe the dynamic properties of colloidal systems.

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Electrokinetic and hydrodynamic properties of charged-particles systems

Cited by 15 publications

References 113 publications

Controlling CaCO₃Particle Size with {Ca²⁺}:{CO₃^2–} Ratios in Aqueous Environments

Controlling CaCO₃Particle Size with {Ca²⁺}:{CO₃^2–} Ratios in Aqueous Environments

A unifying mode-coupling theory for transport properties of electrolyte solutions. II. Results for equal-sized ions electrolytes

Long-time self-diffusion of charged spherical colloidal particles in parallel planar layers

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Electrokinetic and hydrodynamic properties of charged-particles systems

Cited by 15 publications

References 113 publications

Controlling CaCO3Particle Size with {Ca2+}:{CO32–} Ratios in Aqueous Environments

Controlling CaCO3Particle Size with {Ca2+}:{CO32–} Ratios in Aqueous Environments

A unifying mode-coupling theory for transport properties of electrolyte solutions. II. Results for equal-sized ions electrolytes

Long-time self-diffusion of charged spherical colloidal particles in parallel planar layers

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Product

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Controlling CaCO₃Particle Size with {Ca²⁺}:{CO₃^2–} Ratios in Aqueous Environments

Controlling CaCO₃Particle Size with {Ca²⁺}:{CO₃^2–} Ratios in Aqueous Environments