Single-file water as a one-dimensional Ising model

Details Single-file water as a one-dimensional Ising model Single-file water as a one-dimensional Ising model

Sep 2010

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010njph...12i3044k&link_type=abstract

New Journal of Physics, Volume 12, Issue 9, pp. 093044 (2010).

Physics

1

Scientific paper

We show that single-file water in nanopores can be viewed as a one-dimensional (1D) Ising model, and we investigate, on the basis of this, the static dielectric response of a chain of hydrogen-bonded water molecules to an external field. To achieve this, we use a recently developed dipole lattice model that accurately captures the free energetics of nanopore water. In this model, the total energy of the system can be expressed as the sum of the effective interactions of chain ends and orientational defects. Neglecting these interactions, we essentially obtain the 1D Ising model, which allows us to derive analytical expressions for the free energy as a function of the total dipole moment and for the dielectric susceptibility. Our expressions, which agree very well with simulation results, provide the basis for the interpretation of future dielectric spectroscopy experiments on water-filled nanopore membranes.

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