Single-file water as a one-dimensional Ising model
- Author(s)
- Jürgen Köfinger, Christoph Dellago
- Abstract
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.
- Organisation(s)
- Computational and Soft Matter Physics
- External organisation(s)
- National Institute of Diabetes and Digestive and Kidney Diseases
- Journal
- New Journal of Physics
- Volume
- 12
- No. of pages
- 17
- ISSN
- 1367-2630
- DOI
- https://doi.org/10.1088/1367-2630/12/9/093044
- Publication date
- 2010
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103036 Theoretical physics, 103009 Solid state physics, 104022 Theoretical chemistry, 103029 Statistical physics
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/72465615-b751-4681-be53-56e9eb64d44d