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
On the application of binary correction factors in lattice distortion calculations for methane clathrate hydrate
University of Borås, School of Engineering. (Swedish Centre for Resource Recovery)
Show others and affiliations
2014 (English)In: Philosophical Magazine, ISSN 1460-6992, Vol. 94, no 9, 974-990 p.Article in journal (Refereed)
Abstract [en]

The lattice distortion theory of Zele and co-workers is an attractive method for amending calculated phase equilibria of clathrate hydrates, since only two molecular computations are required. The perturbation energy between the empty and loaded clathrate hydrate lattice is the quantity of interest. The effect of binary correction factors applied to the Lorentz and Berthelot com- bining rules for the intermolecular interaction between gas and water particles is investigated. There are clear trends for the perturbation energy and lattice constant in terms of the binary correction factors, although there is signi fi cant sensitivity to the force fi eld parameterization of the gas species.

Place, publisher, year, edition, pages
Taylor & Francis , 2014. Vol. 94, no 9, 974-990 p.
Keyword [en]
methane, clathrate, computer simulations, Recovery of energy and material resources
National Category
Materials Engineering
Research subject
Resource Recovery
Identifiers
URN: urn:nbn:se:hb:diva-1839DOI: 10.1080/14786435.2013.873553ISI: 000333484600010Local ID: 2320/13592OAI: oai:DiVA.org:hb-1839DiVA: diva2:869917
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, Kim
By organisation
School of Engineering
Materials Engineering

Search outside of DiVA

GoogleGoogle Scholar

Altmetric score

Total: 36 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