Spontaneous charging and crystallization of water droplets in oil

Graaf, Joost de; Zwanikken, Jos W.; Bier, Markus; Baarsma, Arjen; Oloumi, Yasha; Spelt, Mischa; Roij, René van

doi:10.1063/1.3009762

Cited by 13 publications

(20 citation statements)

References 32 publications

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“…In principle, the electric double-layers can overlap, especially in the oil phase where κ −1 o is larger. This is even a crucial point to explain the electrostatic stabilization of surfactant free water droplets in oil [60,61]. In the present paper, we want to assess the validity of our coarse-grained simulation method by comparison with known results for an isolated interface and therefore consider only the limit κ o,w L o,w → ∞.…”

Section: Systemmentioning

confidence: 99%

Coarse-grained simulations of charge, current and flow in heterogeneous media

2010

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We present a coarse-grained simulation method for complex charged systems. This mesoscopic model couples a hydrodynamic description to a free energy functional accounting for the interactions between solvent(s) and charged solutes. It is implemented in a hybrid lattice-based algorithm, whereby the evolution of the overall mass and momentum is taken care of via a Lattice Boltzmann scheme, whereas the composition and ionic concentrations are updated using the link-flux method. Several applications illustrate the power of this coarse-grained model for charged heterogeneous media: the transport of charged tracers in charged porous media, the deformation of an oil droplet in water under the effect of an applied electric field, and the distribution of ions at an oil-water interface as a function of their affinity for both solvents.

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Section: Systemmentioning

confidence: 99%

Coarse-grained simulations of charge, current and flow in heterogeneous media

2010

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“…We also mention observations of crystal formation of micron-sized water-rich droplets in a less polar oil-rich phase with addition of HBr [15]. The mechanism of this ordering was ascribed to the Coulomb interaction due to asymmetric partitioning of cations and anions in water and oil [16].…”

Section: Introductionmentioning

confidence: 95%

Precipitation in aqueous mixtures with addition of a strongly hydrophilic or hydrophobic solute

Okamoto

Ōnuki

2010

Phys. Rev. E

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We examine phase separation in aqueous mixtures due to preferential solvation with a low-density solute (hydrophilic ions or hydrophobic particles). For hydrophilic ions, preferential solvation can stabilize water domains enriched with ions. This precipitation occurs above a critical solute density n(p) in wide ranges of the temperature and the average composition, where the mixture solvent would be in a one-phase state without solute. The volume fraction of precipitated domains tends to zero as the average solute density n is decreased to np or as the interaction parameter χ is decreased to a critical value χ(p). If we start with one-phase states with n>n(p) or χ>χ(p), precipitation proceeds via homogeneous nucleation or via heterogeneous nucleation, for example, around suspended colloids. In the latter case, colloid particles are wrapped by thick wetting layers. We also predict a first-order prewetting transition for n or χ slightly below np or χ(p) for neutral colloids.

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“…In this Letter, we focus on a much less explored problem of ions present in both sides of the spherical interface. This system can be considered as a model for a liquid-liquid emulsion droplet in the presence of an electrolyte [33,34]. We consider the case where the ions do not cross the interface.…”

mentioning

confidence: 99%

Simulation of Charged Systems in Heterogeneous Dielectric Media via a True Energy Functional

2012

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For charged systems in heterogeneous dielectric media, a key obstacle for molecular dynamics (MD) simulations is the need to solve the Poisson equation in the media. This obstacle can be bypassed using MD methods that treat the local polarization charge density as a dynamic variable, but such approaches require access to a true free energy functional, one that evaluates to the equilibrium electrostatic energy at its minimum. In this Letter, we derive the needed functional. As an application, we develop a Car-Parrinello MD method for the simulation of free charges present near a spherical emulsion droplet separating two immiscible liquids with different dielectric constants. Our results show the presence of nonmonotonic ionic profiles in the dielectric with a lower dielectric constant.

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Spontaneous charging and crystallization of water droplets in oil

Cited by 13 publications

References 32 publications

Coarse-grained simulations of charge, current and flow in heterogeneous media

Coarse-grained simulations of charge, current and flow in heterogeneous media

Precipitation in aqueous mixtures with addition of a strongly hydrophilic or hydrophobic solute

Simulation of Charged Systems in Heterogeneous Dielectric Media via a True Energy Functional

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