English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

We present a recently developed one-dimensional dipole lattice model thataccurately captures the key properties of water in narrow nanopores. For thismodel, we derive three equivalent representations of the Hamiltonian thattogether yield a transparent physical picture of the energetics of the waterchain and permit efficient computer simulations. In the charge representation,the Hamiltonian consists of nearest-neighbor interactions and Coulomb-likeinteractions of effective charges at the ends of dipole ordered segments.Approximations based on the charge picture shed light on the influence of theCoulomb-like interactions on the structure of nanopore water. We use MonteCarlo simulations to study the system behavior of the full Hamiltonian and itsapproximations as a function of chemical potential and system size andinvestigate the bimodal character of the density distribution occurring atsmall system sizes.

A one-dimensional dipole lattice model for water in narrow nanopores