Kinetics and mechanism of proton transport across membrane nanopores

Details Kinetics and mechanism of proton transport across membrane nanopores Kinetics and mechanism of proton transport across membrane nanopores

2006-11-14

arxiv.org/abs/cond-mat/0611369v1

Physics

Condensed Matter

Soft Condensed Matter

4 pages, 4 figures

Scientific paper

10.1103/PhysRevLett.97.245901

We use computer simulations to study the kinetics and mechanism of proton passage through a narrow-pore carbon-nanotube membrane separating reservoirs of liquid water. Free energy and rate constant calculations show that protons move across the membrane diffusively in single-file chains of hydrogen-bonded water molecules. Proton passage through the membrane is opposed by a high barrier along the effective potential, reflecting the large electrostatic penalty for desolvation and reminiscent of charge exclusion in biological water channels. At neutral pH, we estimate a translocation rate of about 1 proton per hour and tube.

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