Soft effective interactions between weakly charged polyelectrolyte chains

Konieczny, Martin; Likos, Christos N.; Löwen, Hartmut

doi:10.1063/1.1781111

Cited by 25 publications

(11 citation statements)

References 58 publications

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“…The effective potential includes an explicit density dependence arising from the redistribution of counterions inside and outside the chains upon a change of the overall concentration. The data can very well be described by a Gaussian form in agreement with a theoretical mean-field model [18].…”

Section: Effective Interactions Between Weakly Charged Linear Polyelesupporting

confidence: 67%

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Charged colloids and polyelectrolytes: from statics to electrokinetics

Löwen

Esztermann

Wysocki

et al. 2005

J. Phys.: Conf. Ser.

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Experimental study of granular convection in (real) two-dimension Brazil-nut effect H A C Wibowo, T N Ain, Y P Nugraha et al. Abstract.A review is given on recent studies of charged colloidal suspensions and polyelectrolytes both in static and non-equilibrium situations. As far as static equilibrium situations are concerned, we discuss three different problems: 1) Sedimentation density profiles in charged suspensions are shown to exhibit a stretched non-bariometric wing at large heights and binary suspensions under gravity can exhibit an analog of the brazil-nut effect known from granular matter, i.e. the heavier particles settle on top of the lighter ones. 2) Soft polyelectrolyte systems like polyelectrolyte stars and microgels show an ultra-soft effective interaction and this results into an unusual equilibrium phase diagram including reentrant melting transitions and stable open crystalline lattices.3) The freezing transition in bilayers of confined charged suspensions is discussed and a reentrant behaviour is obtained. As far as nonequilibrium problems are concerned, we discuss an interface instability in oppositely driven colloidal mixtures and discuss possible approaches to simulate electrokinetic effects in charged suspensions.

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Section: Effective Interactions Between Weakly Charged Linear Polyelesupporting

confidence: 67%

“…From Ref. [18]. interactions between two polyelectrolyte stars obtained by the theory was confirmed by the simulations.…”

Section: Freezing In Polyelectrolyte Star Solutionssupporting

confidence: 61%

Charged colloids and polyelectrolytes: from statics to electrokinetics

Löwen

Esztermann

Wysocki

et al. 2005

J. Phys.: Conf. Ser.

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“…[5,6,7,8], the constituent particles we consider are allowed to overlap and are purely repulsive. Both conditions are readily fulfilled for various types of polymeric macromolecules, e.g., polymer chains [13], polyelectrolytes [14], or dendrimers [15]. Under certain, general conditions on the properties of the Fourier transformΦ(q) of the interparticle potential Φ(r), we demonstrate that the particles form aggregates that further organize into regular cluster crystals with multiple site occupancy.…”

mentioning

confidence: 99%

Erratum: Formation of Polymorphic Cluster Phases for a Class of Models of Purely Repulsive Soft Spheres [Phys. Rev. Lett.96, 045701 (2006)]

et al. 2006

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We present results from density functional theory and computer simulations that unambiguously predict the occurrence of first-order freezing transitions for a large class of ultrasoft model systems into cluster crystals. The clusters consist of fully overlapping particles and arise without the existence of attractive forces. The number of particles participating in a cluster scales linearly with density, therefore the crystals feature density-independent lattice constants. Clustering is accompanied by polymorphic bcc-fcc transitions, with fcc being the stable phase at high densities.PACS numbers: 64.70. Dv, 82.30.Nr, 61.20.Ja, 82.70.Dd The distinguishing feature of soft matter systems is the vast separation of length and time scales characterizing the extent and motion of their constituent entities. Whereas soft matter mixtures are typically solutions in a microscopic solvent, the solute particles are complex macromolecular aggregates of mesoscopic spatial dimensions [1]. The ability to control the architecture and chemical nature of these macromolecules, combined with the flexibility in influencing the solvent properties and the composition of the system, gives rise to an unprecedented freedom in tuning the effective interactions between the particles and opens up the possibility to steer the macroscopic properties of the system [1, 2]. The richness of spontaneously forming complexes in soft matter encompasses length scales that exceed the dimensions of the individual macromolecules. Indeed, the latter can self-organize in a variety of ways, giving rise to so-called hypermolecular structures [3] that encompass a large number of mesoscopically-sized entities. Characteristic examples are the complex phases encountered in ternary mixtures of oil, water, and amphiphilic surfactants or in block copolymer blends, as well as the emergence of cluster formation between colloidal particles, which has attracted a great deal of attention recently [4,5,6,7,8,9,10,11,12]. The underlying physical mechanism that drives the emergence of hypermolecular structures is widely believed to rest on the existence of competing interactions among the mesoscopic solute constituents. For example, the dominant mechanism that guarantees the stability of finite clusters in colloidal [5,7,8] or biological [6] systems stems from the presence of short-range attractions and long-range repulsions in their effective interaction potential. Whereas the former provide the driving force for unlimited cluster growth, the latter act as a barrier against it. The efficiency of the barrier grows fast with increasing cluster population, therefore further accumulation of colloids into the clusters is brought to an end when a specific, optimal cluster occupancy is reached [3,7]. Cluster formation is a highly topical issue in current soft matter research, due to the large variety of cluster morphologies that form [5,9,11] and to the relevance of these structures in influencing vitrification and gelation [5,9,12].In this Letter, we report on a different mecha...

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“…[1][2][3] There are also many simulation and theoretical investigations related to adsorption of polyelectrolytes to oppositely charged solid surfaces and inter-chain interactions. [16][17][18][19][20][21][22][23][24][25][26][27][28][29][30][31][32][33][34] Basically, in very dilute solutions, the polycations and polyanions spontaneously form complexes. The size of such polyelectrolyte complexes depends on the molecular weights and charge densities of the components, and even the order of mixing of the components.…”

Section: Introductionmentioning

confidence: 99%

Modeling competitive substitution in a polyelectrolyte complex

Peng

Muthukumar

2015

The Journal of Chemical Physics

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We have simulated the invasion of a polyelectrolyte complex made of a polycation chain and a polyanion chain, by another longer polyanion chain, using the coarse-grained united atom model for the chains and the Langevin dynamics methodology. Our simulations reveal many intricate details of the substitution reaction in terms of conformational changes of the chains and competition between the invading chain and the chain being displaced for the common complementary chain. We show that the invading chain is required to be sufficiently longer than the chain being displaced for effecting the substitution. Yet, having the invading chain to be longer than a certain threshold value does not reduce the substitution time much further. While most of the simulations were carried out in salt-free conditions, we show that presence of salt facilitates the substitution reaction and reduces the substitution time. Analysis of our data shows that the dominant driving force for the substitution process involving polyelectrolytes lies in the release of counterions during the substitution. C 2015 AIP Publishing LLC. [http://dx

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Soft effective interactions between weakly charged polyelectrolyte chains

Cited by 25 publications

References 58 publications

Charged colloids and polyelectrolytes: from statics to electrokinetics

Charged colloids and polyelectrolytes: from statics to electrokinetics

Erratum: Formation of Polymorphic Cluster Phases for a Class of Models of Purely Repulsive Soft Spheres [Phys. Rev. Lett.96, 045701 (2006)]

Modeling competitive substitution in a polyelectrolyte complex

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