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
Thermodynamic modeling of CO2 solubility in ionic liquid with heterosegmented statistical associating fluid theory
LuleƄ University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.ORCID iD: 0000-0002-0200-9960
Soft Materials Laboratory, Department of Chemical and Petroleum Engineering, University of Wyoming.
2010 (English)In: Fluid Phase Equilibria, ISSN 0378-3812, E-ISSN 1879-0224, Vol. 293, no 2, 141-150 p.Article in journal (Refereed) Published
Abstract [en]

Heterosegmented statistical associating fluid theory is used to represent the CO2 solubility in ionic liquids. As in our previous work, ionic liquid molecule is divided into several groups representing the alkyls, cation head, and anion. The cation of ionic liquid is modeled as a chain molecule that consists of one spherical segment representing the cation head and groups of segments of different types representing different substituents (alkyls). The anion of ionic liquid is modeled as a spherical segment of different type. To account for the electrostatic/polar interaction between the cation and anion, the spherical segments representing cation head and anion each have one association site, which can only cross associate. Carbon dioxide is modeled as a molecule with three association sites, two sites of type O and one site of type C, where sites of the same type do not associate with each other. The parameters of CO2 are obtained from the fitting of the density and the saturation vapor pressure of CO2. For the CO2-ionic liquid systems, cross association between site of type C in CO2 and another association site in anion is allowed to occur to account for the Lewis acid-base interaction. The parameters for cross association interactions and the binary interaction parameters used to adjust the dispersive interactions between unlike segments are obtained from the fitting of the available CO2 solubility in ionic liquids. The model is found to well represent the CO2 solubility in the imidazolium ionic liquids from 283 to 415 K and up to 200 bar.

Place, publisher, year, edition, pages
2010. Vol. 293, no 2, 141-150 p.
National Category
Energy Engineering
Research subject
Energy Engineering
Identifiers
URN: urn:nbn:se:ltu:diva-4332DOI: 10.1016/j.fluid.2010.02.024Local ID: 24367530-22e8-11df-be83-000ea68e967bOAI: oai:DiVA.org:ltu-4332DiVA: diva2:977196
Note
Validerad; 2010; 20100226 (xiajix)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2017-11-24Bibliographically approved

Open Access in DiVA

fulltext(927 kB)35 downloads
File information
File name FULLTEXT01.pdfFile size 927 kBChecksum SHA-512
7a48d93f5eac2089116cc228499a34b1549e33139b0814b68bb40e68975d64032bad80a2eca208f2ba81503f4c3184736a1b58d7816ddc49d2059782b1f6fd3e
Type fulltextMimetype application/pdf

Other links

Publisher's full text

Search in DiVA

By author/editor
Ji, Xiaoyan
By organisation
Energy Science
In the same journal
Fluid Phase Equilibria
Energy Engineering

Search outside of DiVA

GoogleGoogle Scholar
Total: 35 downloads
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 16 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