Excess proton solvation and delocalization in a hydrophilic pocket of the proton conducting polymer membrane Nafion

Article Abstract:

The solvation properties of the hydrated excess proton in a hydrophilic pocket of Nafion 117 were studied. The results demonstrated that it is impossible to describe the low pH conditions in the hydrophilic domains of Nafion without the explicit treatment of Grotthuss delocalization in the underlying molecular dynamics model for excess protons.

Science & research, Research, Polymers, Solvation

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Structure of hydrated Na-Nafion polymer membranes

Article Abstract:

Molecular dynamics is used to investigate the structure of the hydrated Na-Nafion membranes. Results showed that the main factors controlling the structure of the system are the hydration energies and the electrostatic interactions and the probabilities of finding a water molecule is much broader than those found in bulk water.

Plastics Material and Resin Manufacturing, All Other Basic Inorganic Chemical Manufacturing, Plastics materials and resins, Potassium & Sodium Compounds, Sodium & Sodium Compounds, Polytetrafluoroethylene, Sodium compounds

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Dynamics of [H.sub.2]O and [Na.sub.+] in Nafion membranes

Article Abstract:

The transport properties of a model of a hydrated Na-Nafion membrane are investigated using molecular dynamics simulations. It is found that the diffusion coefficient of water and [Na.sup.+] increases with increasing hydration.

Diffusion, Diffusion (Physics), Mechanical properties, Structure, Copolymers

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