Structure of poly(acrylic acid) in electrolyte solutions determined from simulations and viscosity measurements

Article Abstract:

The structure of poly(acrylic acid) (PAA) molecules in electrolyte solutions obtained from molecular dynamic solutions is compared with experimental data obtained from dynamic light scattering (PCS), dynamic viscosity and electrophoretic measurements. The results have shown that the most probable shape of PAA for low ionic strength is a flexible rod bent to the form of a semicircle or a torus and for high ionic strength, it is bent to the form of a helicoidal structure.

Measurement, Viscosity, Electrolytes

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Mechanical and transport properties of the poly(ethylene oxide)-poly(acrylic acid) double network hydrogel from molecular dynamics simulations

Article Abstract:

The atomistic molecular dynamics (MD) simulations are employed to study the mechanical and transport properties of the poly(ethylene oxide)-poly(acrylic acid) (PEO-PAA) double network (DN) hydrogel with excess of water. The results prove the DN hydrogels to be much better than the single network (SN) hydrogels, as they exhibit better solvation of polymer and ion and high diffusion coefficients, as compared to the SN hydrogels.

Industrial organic chemicals, not elsewhere classified, Ethylene Oxide, Atomic properties, Report

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