Malmö University Publications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Properties of Water Confined in an Amphiphilic Nanopore
Malmö högskola, Faculty of Health and Society (HS).ORCID iD: 0000-0002-9852-5440
2008 (English)In: J. Phys. Chem. C, Vol. 112, p. 16893-16897Article in journal (Refereed)
Abstract [en]

Molecular dynamics simulations of water and nitrogen confined in a model amphiphilic nanotube were performed. The nanotube has a diameter of 4 nm and consists of hydrophobic atoms and regularly placed OH groups. The results show that the density of water close to the nanotube walls is lower compared to the density in the center of the nanotube. The hydrogen bonded network of water molecules is practically intact compared with the bulk water. The simulation confirms that the experimentally observed low formal density of water in the nanopores (0.88 g/cm3) is due to formation of small unfilled cavities adjacent to the pore walls. Nitrogen molecules are localized primarily in the unhydrated cavities. The presence of nitrogen molecules is not the main reason for the decrease of water density in the nanotube.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2008. Vol. 112, p. 16893-16897
Keywords [en]
nanopore, amphiphilic
National Category
Physical Chemistry
Identifiers
URN: urn:nbn:se:mau:diva-4921DOI: 10.1021/jp805247bISI: 000260357800026Scopus ID: 2-s2.0-56049098402Local ID: 6855OAI: oai:DiVA.org:mau-4921DiVA, id: diva2:1401756
Available from: 2020-02-28 Created: 2020-02-28 Last updated: 2024-02-05Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full textScopus

Authority records

Kocherbitov, Vitaly

Search in DiVA

By author/editor
Kocherbitov, Vitaly
By organisation
Faculty of Health and Society (HS)
Physical Chemistry

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 45 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf