Effects of the charge density and counterion species on the conductance of ionene solutions

Nagaya, Jiro; Minakata, Akira; Tanioka, Akihiko

doi:10.1016/s0927-7757(98)00549-4

Cited by 32 publications

(42 citation statements)

References 30 publications

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“…8 which indicates that the conductivity is smaller with Br K than with Cl K counterions. This fact can be qualitatively explained assuming, as Nagaya et al [41] pointed out, that the conductivity may be conformation dependent, and is a straight consequence of the different interactions between the polyion and the Cl K and Br K anions that have been evidenced in the SEC measurements in NaCl and NaBr solutions. The uncondensed counterions fraction f according to Manning's theory [38,39] depends on the inverse of charge density parameter x…”

Section: Electrical Conductivitiesmentioning

confidence: 88%

Solution properties of poly(diallyldimethylammonium chloride) (PDDA)

Marcelo

Tarazona

Sáiz

2005

Polymer

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Section: Electrical Conductivitiesmentioning

confidence: 88%

Solution properties of poly(diallyldimethylammonium chloride) (PDDA)

Marcelo

Tarazona

Sáiz

2005

Polymer

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“…As a consequence, the two polyelectrolytes differ in their thermodynamic and transport properties. [3][4][5][7][8][9][10][11][12][13][14][15] Furthermore, the behavior of these solutions does not depend only on the charge density of polyions but also on the nature of counterions and presence of an additional low molecular electrolyte in solution. In several recent papers, we applied the molecular dynamics (MD) approach to study interactions in aqueous solution of 3,3-and 6,6-ionene oligomers (six monomer units long) neutralized with various sodium halides.…”

Section: Introductionmentioning

confidence: 99%

Explicit water molecular dynamics study of the mobility of halide ions in presence of ionene oligocations

Druchok

Lukšič

Vlachy

2012

The Journal of Chemical Physics

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We present explicit water molecular dynamics simulations of solutions of aliphatic 3,3- and 6,6-ionene oligocations neutralized with (i) fluoride, chloride, bromide, or iodide counterions, respectively, or (ii) with a 1:1 mixture of chloride and bromide anions in presence of a low molecular weight salt at 298 K. The SPC/E model was used to describe water molecules. Results of the simulation are presented in form of the pair distribution functions between various atoms on the ionene oligoion and counterions in solution. In addition, we were interested in the dynamics of counterions around model ionenes. We showed that counterions residing in the vicinity of the oligoion exchange rapidly with those in the bulk solution, with the frequency depending on the nature of the counterion and on the charge density of the oligoion. We calculated the average residence times of the various counterion species to the oligoions and proposed the model which divides the counterions into "free" and "bound" and calculated the fraction of "free" counterions. In the second part of the study, we investigated interaction of the sodium chloride and sodium bromide, being simultaneously present in the solution, with differently charged ionenes in water. The selectivity effect was clearly observed: bromide ions tend to replace chloride ions in the immediate vicinity of the ionene oligoions. Simulation results are discussed in light of our recent measurements of thermodynamic and transport properties of aqueous ionene solutions.

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“…The presence of salt in the system (Fig. 3) has a slight influence on the polyion dissociation in according to the case of strong polyelectrolytes (Nagaya, Minakata, & Tanioka, 1999). The potentiometric titration curves of PCel are similar.…”

Section: Potentiometric Titrationmentioning

confidence: 76%