2006
DOI: 10.1021/jp063981w
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Structure of Poly(acrylic acid) in Electrolyte Solutions Determined from Simulations and Viscosity Measurements

Abstract: In this work, the structure of poly(acrylic acid) (PAA) molecules in electrolyte solutions obtained from molecular dynamic simulations was compared with experimental data derived from dynamic light scattering (PCS), dynamic viscosity, and electrophoretic measurements. Simulations and measurements were carried out for polymer having a molecular weight of 12 kD for various ionic strengths of the supporting electrolyte (NaCl). The effect of the ionization degree of the polymer, regulated by the change in the pH o… Show more

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Cited by 94 publications
(101 citation statements)
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“…Adamczyk et al has researched that the molecule shape for every polymer can be determined by the mean conformation and the hydrodynamic radius (R h ), the intrinsic viscosity ([η]) for a polymer can be calculated by the parameters of the molecule shape (a and λ) and the equations [19,20].…”
Section: Resultsmentioning
confidence: 99%
“…Adamczyk et al has researched that the molecule shape for every polymer can be determined by the mean conformation and the hydrodynamic radius (R h ), the intrinsic viscosity ([η]) for a polymer can be calculated by the parameters of the molecule shape (a and λ) and the equations [19,20].…”
Section: Resultsmentioning
confidence: 99%
“…The centres of the touching beads are located along a semi-circle, with the first and the last bead surfaces at contact with the base diameter of the semi-circle. Deriving of theoretical results for HC is interesting because polyelectrolyte macromolecules assume often such shapes for low and moderate range of ionic strength [5][6][7]. Since the HC molecule posses only two perpendicular planes of symmetry, and it is not symmetric with respect to rotation by p/2, therefore there are three different friction coefficients along the x, y and z axes (see Table 1).…”
Section: Resultsmentioning
confidence: 99%
“…Examples of anisotropic particles, of complex shape are charged macromolecules, such as straight or ring shaped DNA [1][2][3][4] polyelectrolytes characterized by ionic strength depending conformations [5][6][7], proteins (fibrinogen, collagen), bacteriophages and viruses [8,9]. Also, colloid and aerosol particle aggregates can appear in various shapes, such as fractal [10][11][12][13][14] or linear structures [15][16] forming under the action of electric or magnetic fields [17,18].…”
Section: Introductionmentioning
confidence: 99%
“…These values are considerably lower than the protonation degree calculated theoretically [39] or measured experimentally using the titration method [27], predicted to vary between 70 and 10% (for the pH range 3-10). The difference, observed for other polyelectrolytes such as PAA [37], can be attributed to adsorption of counterions from the bulk electrolyte, which leads to the phenomenon often referred to as ion condensation [37,40].…”
Section: Streaming Potential Measurements Of Pei Adsorptionmentioning
confidence: 99%
“…Knowing the mobility, one can calculate the electrokinetic charge q e on the PEI molecule, using the basic electrostatic relationship (Lorentz equation [36,37])…”
Section: Streaming Potential Measurements Of Pei Adsorptionmentioning
confidence: 99%