Chemical Charge Regulation and Charge Renormalization in Concentrated Colloidal Suspensions

Grünberg, H. H. von

doi:10.1006/jcis.1999.6487

Cited by 33 publications

(30 citation statements)

References 16 publications

(35 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…As a result, a theoretical analysis focusing on one or the other phenomenon will not necessarily lead to fruitful comparisons with experiment. Previous work has used mean field electrostatics to simultaneously address both the chemical reaction aspect of charge creation and charge renormalization for colloidal spheres carrying surface charge 18 . Efforts have also been directed at calculating forces between charge regulating flat surfaces and spheres in solution 15,19 .…”

Section: Introductionmentioning

confidence: 99%

A simple model for electrical charge in globular macromolecules and linear polyelectrolytes in solution

Krishnan

2017

The Journal of Chemical Physics

View full text Add to dashboard Cite

We present a model for calculating the net and effective electrical charge of globular macromolecules and linear polyelectrolytes such as proteins and DNA, given the concentration of monovalent salt and pH in solution. The calculation is based on a numerical solution of the non-linear Poisson-Boltzmann equation using a finite element discretized continuum approach. The model simultaneously addresses the phenomena of charge regulation and renormalization, both of which underpin the electrostatics of biomolecules in solution. We show that while charge regulation addresses the true electrical charge of a molecule arising from the acid-base equilibria of its ionizable groups, charge renormalization finds relevance in the context of a molecule’s interaction with another charged entity. Writing this electrostatic interaction free energy in terms of a local electrical potential, we obtain an “interaction charge” for the molecule which we demonstrate agrees closely with the “effective charge” discussed in charge renormalization and counterion-condensation theories. The predictions of this model agree well with direct high-precision measurements of effective electrical charge of polyelectrolytes such as nucleic acids and disordered proteins in solution, without tunable parameters. Including the effective interior dielectric constant for compactly folded molecules as a tunable parameter, the model captures measurements of effective charge as well as published trends of pKa shifts in globular proteins. Our results suggest a straightforward general framework to model electrostatics in biomolecules in solution. In offering a platform that directly links theory and experiment, these calculations could foster a systematic understanding of the interrelationship between molecular 3D structure and conformation, electrical charge and electrostatic interactions in solution. The model could find particular relevance in situations where molecular crystal structures are not available or rapid, reliable predictions are desired.

show abstract

Section: Introductionmentioning

confidence: 99%

A simple model for electrical charge in globular macromolecules and linear polyelectrolytes in solution

Krishnan

2017

The Journal of Chemical Physics

View full text Add to dashboard Cite

show abstract

“…It is important to emphasize, however, that only thermodynamic quantities have physical significance within the theory and that the theoretically defined variable Z does not necessarily correspond directly with any effective charge that may be determined experimentally, e.g., by light scattering, electrophoresis, or conductivity measurements. Moreover, direct comparisons between theory and experiment are subject to complication by charge regulation via chemical reactions at the macroion surface [9,10], which may render even the bare charge dependent on thermodynamic state, e.g., pH and salinity. …”

Section: Resultsmentioning

confidence: 99%

“…Electrostatic interactions are sensitive to the surface charges of the macroions and to the distribution of surrounding counterions. A macroion's bare (structural) charge depends on its surface chemistry (e.g., number and type of ionizable sites) and, in general, on the pH and salinity of the solution [9,10]. Dressed by an entourage of strongly attracted counterions, a highly charged macroion can act as though carrying a significantly reduced (renormalized) effective charge.…”

Section: Introductionmentioning

confidence: 99%

Charge renormalization, effective interactions, and thermodynamics of deionized colloidal suspensions

Denton¹

2008

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

Abstract. Thermodynamic properties of charge-stabilised colloidal suspensions depend sensitively on the effective charge of the macroions, which can be substantially lower than the bare charge in the case of strong counterion-macroion association. A theory of charge renormalization is proposed, combining an effective one-component model of charged colloids with a thermal criterion for distinguishing between free and associated counterions. The theory predicts, with minimal computational effort, osmotic pressures of deionized suspensions of highly charged colloids in close agreement with large-scale simulations of the primitive model.

show abstract

“…accordance with the principle of ionic condensation (43)(44)(45) and with osmotic pressure measurements performed elsewhere with the same material (46).…”

Section: Charges Balance At the Interfacementioning

confidence: 97%

Adsorption of Barium and Calcium Chloride onto Negatively Charged α-Fe2O3 Particles

Pochard

Denoyel²,

Couchot

et al. 2002

Journal of Colloid and Interface Science

View full text Add to dashboard Cite

Chemical Charge Regulation and Charge Renormalization in Concentrated Colloidal Suspensions

Cited by 33 publications

References 16 publications

A simple model for electrical charge in globular macromolecules and linear polyelectrolytes in solution

A simple model for electrical charge in globular macromolecules and linear polyelectrolytes in solution

Charge renormalization, effective interactions, and thermodynamics of deionized colloidal suspensions

Adsorption of Barium and Calcium Chloride onto Negatively Charged α-Fe2O3 Particles

Contact Info

Product

Resources

About