Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • 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
Simulation of water clusters in vapour, alkanes and polyethylenes
University of Borås, School of Engineering.
University of Borås, School of Engineering.
University of Borås, School of Engineering.
University of Borås, School of Engineering.
2009 (Swedish)In: Molecular Simulation, ISSN 0892-7022, E-ISSN 1029-0435, Vol. 35, no 10/11, 888-896 p.Article in journal (Refereed)
Abstract [en]

The Gibbs Ensemble Monte Carlo (GEMC) technique has been used to study the clustering of water in vapour, alkanes and polyethylene, where the water clusters are in equilibrium with liquid phase water. The effect of an external electric field and ionic impurities on the clustering of water in the hydrocarbons (alkanes and polyethylene) has also been studied. The simulations of water clustering in polyethylene were made more efficient by using a connectivity altering osmotic Gibbs ensemble method. It was found that trends in the size distribution of water clusters in the hydrocarbons are similar to those found in the pure vapour, but that fewer and smaller clusters are formed as the length of the hydrocarbon chain increased. Also, large external electric fields decrease the solubility of water in hydrocarbons, whereas the presence of ionic species dramatically increases the solubility.

Place, publisher, year, edition, pages
Taylor & Francis Ltd. , 2009. Vol. 35, no 10/11, 888-896 p.
Keyword [sv]
Energi och material
National Category
Engineering and Technology
Identifiers
URN: urn:nbn:se:hb:diva-3097DOI: 10.1080/08927020902787804Local ID: 2320/8067OAI: oai:DiVA.org:hb-3097DiVA: diva2:871193
Available from: 2015-11-13 Created: 2015-11-13

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Bolton, KimJohansson, ErikJönsson, LennartAhlström, Peter
By organisation
School of Engineering
In the same journal
Molecular Simulation
Engineering and Technology

Search outside of DiVA

GoogleGoogle Scholar

Altmetric score

Total: 69 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • 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