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  Computer simulation of water in asymmetric slit-like nanopores

Pertsin, A., & Grunze, M. (2004). Computer simulation of water in asymmetric slit-like nanopores. The Journal of Physical Chemistry B, 108(42), 16533-16539. doi:10.1021/jp048467+.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0001-C150-A Version Permalink: https://hdl.handle.net/21.11116/0000-0001-C151-9
Genre: Journal Article

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JPhysChemB_108_2004_16533.pdf (Any fulltext), 156KB
 
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https://pubs.acs.org/doi/pdf/10.1021/jp048467%2B (Any fulltext)
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 Creators:
Pertsin, Alexander, Author
Grunze, Michael1, Author           
Affiliations:
1Cellular Biophysics, Max Planck Institute for Medical Research, Max Planck Society, ou_2364731              

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 Abstract: The grand canonical Monte Carlo technique was employed to simulate the behavior of water confined in open asymmetric slit-like nanopores, as formed by parallel hydrophilic and hydrophobic walls. Both structureless nonorienting and structured orienting walls were studied. At a chemical potential slightly above its liquid−vapor bulk coexistence value, an unusual phase state of water was observed, characterized by giant fluctuations of the number of water molecules and a wandering liquid−vapor interface.

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Language(s): eng - English
 Dates: 2004-04-072004-06-272004-09-25
 Publication Status: Issued
 Pages: 7
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1021/jp048467+
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Title: The Journal of Physical Chemistry B
  Other : J. Phys. Chem. B
Source Genre: Journal
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Publ. Info: Washington, D.C. : American Chemical Society
Pages: - Volume / Issue: 108 (42) Sequence Number: - Start / End Page: 16533 - 16539 Identifier: ISSN: 1520-6106
CoNE: https://pure.mpg.de/cone/journals/resource/1000000000293370_1