Endre søk
RefereraExporteraLink to record
Permanent link

Direct link
Referera
Referensformat
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annet format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annet språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf
Simulation of water clusters in vapour, alkanes and polyethylenes
Högskolan i Borås, Institutionen Ingenjörshögskolan.
Högskolan i Borås, Institutionen Ingenjörshögskolan.
Högskolan i Borås, Institutionen Ingenjörshögskolan.
Högskolan i Borås, Institutionen Ingenjörshögskolan.
2009 (svensk)Inngår i: Molecular Simulation, ISSN 0892-7022, E-ISSN 1029-0435, Vol. 35, nr 10/11, s. 888-896Artikkel i tidsskrift (Fagfellevurdert) Published
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.

sted, utgiver, år, opplag, sider
Taylor & Francis Ltd. , 2009. Vol. 35, nr 10/11, s. 888-896
Emneord [sv]
Energi och material
HSV kategori
Identifikatorer
URN: urn:nbn:se:hb:diva-3097DOI: 10.1080/08927020902787804Lokal ID: 2320/8067OAI: oai:DiVA.org:hb-3097DiVA, id: diva2:871193
Tilgjengelig fra: 2015-11-13 Laget: 2015-11-13 Sist oppdatert: 2017-11-24bibliografisk kontrollert

Open Access i DiVA

Fulltekst mangler i DiVA

Andre lenker

Forlagets fulltekst

Personposter BETA

Bolton, KimJohansson, ErikJönsson, LennartAhlström, Peter

Søk i DiVA

Av forfatter/redaktør
Bolton, KimJohansson, ErikJönsson, LennartAhlström, Peter
Av organisasjonen
I samme tidsskrift
Molecular Simulation

Søk utenfor DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric

doi
urn-nbn
Totalt: 176 treff
RefereraExporteraLink to record
Permanent link

Direct link
Referera
Referensformat
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annet format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annet språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf