ArticleThe Journal of chemical physics2009
A one-dimensional dipole lattice model for water in narrow nanopores.
Article in The Journal of chemical physics, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- Article
- Article
- Single-file water in nanopores.Physical chemistry chemical physics : PCCP · 2011Article
- Microscopic properties of nanopore water from its time-dependent dielectric response.Physical review. B, Condensed matter and materials physics · 2010Article
- Single-file water as a one-dimensional Ising model.New journal of physics · 2010Article
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Authors and funding
3 authors.
Funding
Abstract
We present a recently developed one-dimensional dipole lattice model that accurately captures the key properties of water in narrow nanopores. For this model, we derive three equivalent representations of the Hamiltonian that together yield a transparent physical picture of the energetics of the water chain and permit efficient computer simulations. In the charge representation, the Hamiltonian consists of nearest-neighbor interactions and Coulomb-like interactions of effective charges at the ends of dipole ordered segments. Approximations based on the charge picture shed light on the influence of the Coulomb-like interactions on the structure of nanopore water. We use Monte Carlo simulations to study the system behavior of the full Hamiltonian and its approximations as a function of chemical potential and system size and investigate the bimodal character of the density distribution occurring at small system sizes.
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