2009
DOI: 10.1088/0953-8984/21/42/424111
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Salt-induced aggregation of stiff polyelectrolytes

Abstract: Molecular dynamics simulation techniques are used to study the process of aggregation of highly charged stiff polyelectrolytes due to the presence of multivalent salt. The dominant kinetic mode of aggregation is found to be the case of one end of one polyelectrolyte meeting others at right angles, and the kinetic pathway to bundle formation is found to be similar to that of flocculation dynamics of colloids as described by Smoluchowski. The aggregation process is found to favor the formation of finite bundles … Show more

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Cited by 17 publications
(23 citation statements)
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“…The aggregation dynamics, in the case of RLPE chains, was studied by looking at the scale free power law evolution of size of the aggregates (or decrease in number of aggregates, N (t) ∼ t −θ ). From large-scale simulations and modeling the evolution of the aggregate size distribution through Smoluchowski coagulation equation, we obtained θ = 2/3, in contrast to the exponent value of θ = 1, obtained in other studies 73,74 . This power law exponent was shown to be independent of charge density of the polymers, valency of the counterions, density, and length of the PE chain, and the aggregation of RLPE chains was shown to be diffusion-limited 92 .…”
Section: Introductioncontrasting
confidence: 83%
“…The aggregation dynamics, in the case of RLPE chains, was studied by looking at the scale free power law evolution of size of the aggregates (or decrease in number of aggregates, N (t) ∼ t −θ ). From large-scale simulations and modeling the evolution of the aggregate size distribution through Smoluchowski coagulation equation, we obtained θ = 2/3, in contrast to the exponent value of θ = 1, obtained in other studies 73,74 . This power law exponent was shown to be independent of charge density of the polymers, valency of the counterions, density, and length of the PE chain, and the aggregation of RLPE chains was shown to be diffusion-limited 92 .…”
Section: Introductioncontrasting
confidence: 83%
“…It is reasonable to find the origin from the mechanism of the counterion-induced attractive interaction between like-charged polyelectrolytes as it successfully explains the case of cytoskeletal filaments. [50][51][52][53][54] Moreover, the coupling kinetics obtained from a simulation study on actin filaments 54 is quite similar to what we observe in our experimental study. However, the high ion concentration and the high valency of the ions generally required for the counterion-assisted aggregation are still far removed from our experimental situation.…”
Section: Electric Field-induced Mt Condensationsupporting
confidence: 86%
“…Even though some of the aforementioned studies do not only involve analytical calculations but also computer simulations capturing the effects of counterion condensation [44,45,48], we would like to point to a number of publications approaching this topic via simulations [54,55,56,57].…”
Section: Bundle Formationmentioning
confidence: 99%