Incorporation of ion and solvent structure into mean-field modeling of the electric double layer

Bohinc, Klemen; Bossa, Guilherme Volpe; May, Sylvio

doi:10.1016/j.cis.2017.05.001

Cited by 71 publications

(37 citation statements)

References 190 publications

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“…(77)-(79) yields the respective cell theorems, namely, Eqs. (21) and (36) [23,24]. Similarly, the osmotic pressure of a permeable microgel is defined as the change in pressure at the surface of the gel.…”

Section: A Osmotic Pressure Of Ionic Microgelsmentioning

confidence: 99%

Osmotic pressure of permeable ionic microgels: Poisson-Boltzmann theory and exact statistical mechanical relations in the cell model

Denton

Alziyadi

2019

The Journal of Chemical Physics

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Ionic microgels are soft colloidal particles, composed of crosslinked polymer networks, that ionize and swell when dispersed in a good solvent. Swelling of these permeable, compressible particles involves a balance of electrostatic, elastic, and mixing contributions to the single-particle osmotic pressure. The electrostatic contribution depends on the distributions of mobile counterions and coions and of fixed charge on the polymers. Within the cell model, we employ two complementary methods to derive the electrostatic osmotic pressure of ionic microgels. In Poisson-Boltzmann (PB) theory, we minimize a free energy functional with respect to the electrostatic potential to obtain the bulk pressure. From the pressure tensor, we extract the electrostatic and gel contributions to the total pressure. In a statistical mechanical approach, we vary the free energy with respect to microgel size to obtain exact relations for the microgel electrostatic osmotic pressure. We present results for planar, cylindrical, and spherical geometries. For models of membranes and microgels with fixed charge uniformly distributed over their surface or volume, we derive analogues of the contact value theorem for charged colloids. We validate these relations by solving the PB equation and computing ion densities and osmotic pressures. When implemented within PB theory, the two methods yield identical electrostatic osmotic pressures for surface-charged microgels. For volumecharged microgels, the exact electrostatic osmotic pressure equals the average of the corresponding PB profile over the gel volume. We demonstrate that swelling of ionic microgels depends on variation of the electrostatic pressure inside the particle and discuss implications for interpreting experiments.

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Section: A Osmotic Pressure Of Ionic Microgelsmentioning

confidence: 99%

Osmotic pressure of permeable ionic microgels: Poisson-Boltzmann theory and exact statistical mechanical relations in the cell model

Denton

Alziyadi

2019

The Journal of Chemical Physics

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“…In particular, the future implementation of the new approach in our CFD solver [24] will enable us to improve the prediction of the charge accumulation of powder flows significantly. We also anticipate that the new model can be applied to other fields than macroscopic particles, for example to electrolyte solutions [2].…”

Section: Discussionmentioning

confidence: 99%

A new computational algorithm for the interaction between electrically charged particles

Bissinger

Großhans

2020

SN Appl. Sci.

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In industrial applications, the dynamics of particles is frequently controlled through electrical charges, e.g., in electrostatic precipitators or during powder coating. However, the electrification of particulates can also cause the formation of deposits, hazardous sparks, and dust explosions. The objective of our work is to propose a new computational method which captures accurately the dynamics of interacting electrically charged particles during their approximation. This model focuses especially on the precise prediction of the contribution of the electrostatic and collisional forces whose timescales are typically much smaller than the numerical time-step used to compute forces other than the Coulomb force. To this end, binary particle interaction is calculated through the local adaptive refinement of the time-step. We present results that demonstrate the capability of the method to accurately and efficiently describe binary and multiple particle interaction. Further, through comparison with benchmark solutions we elaborate on the conditions, in terms of particle charges and sizes, for which our model is superior to previously employed approaches.

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“…The stability of the NPs in the colloidal solution is due the presence of surface charge on the nanoparticles surface. These charges are measured by a technique that is called zeta-potential analyzer that predict their stability [25,26]. If a measured zeta-potential of a surface modified nanoparticles showed a large positive or large negative, then the nanocolloids would have good physical stability due to electrostatic repulsion between the individual nanoparticles.…”

Section: Surface Charge Determination On the Npsmentioning

confidence: 99%

“…It is basically an electrical potential developed at the interfacial double layer which is dispersed nanoparticles and the continuous phase that could be the dispersion medium. It is determined through velocity measurement of the charged nanoparticles moving toward the electrode across the sample solution in the presence of an external electric field [25][26][27]. Rasmussen et al determined the surface charge on various nanoparticles using salt gradient which caused a charge reversal of NPs in opposite direction.…”

Section: Surface Charge Determination On the Npsmentioning

confidence: 99%

Recent Trends in Noble Metal Nanoparticles for Colorimetric Chemical Sensing and Micro-Electronic Packaging Applications

Gautam¹,

Komal

Gautam

et al. 2021

Metals

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Noble metal NPs are highly attractive candidates because of their unique combination of physical, chemical, mechanical, and structural properties. A lot of developments in this area are still fascinating the materials research community, and are broadly categorized in various sectors such as chemical sensors, biosensors, Förster resonance energy transfer (FRET), and microelectronic applications. The related function and properties of the noble metals in these areas can be further tailored by tuning their chemical, optical, and electronic properties that are influenced by their size, shape, and distribution. The most widely used Au and Ag NPs in dispersed phase below 100 nm exhibit strong color change in the visible range which alters upon aggregation of the NPs. The chemical sensing of the analyte is influenced by these NPs aggregates. In this article, we have summarized the uniqueness of noble metal NPs, their synthesis methods, nucleation and growth process, and their important applications in chemical sensing, microelectronic packaging, and Förster resonance energy transfer.

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Incorporation of ion and solvent structure into mean-field modeling of the electric double layer

Cited by 71 publications

References 190 publications

Osmotic pressure of permeable ionic microgels: Poisson-Boltzmann theory and exact statistical mechanical relations in the cell model

Osmotic pressure of permeable ionic microgels: Poisson-Boltzmann theory and exact statistical mechanical relations in the cell model

A new computational algorithm for the interaction between electrically charged particles

Recent Trends in Noble Metal Nanoparticles for Colorimetric Chemical Sensing and Micro-Electronic Packaging Applications

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