Endre søk
RefereraExporteraLink to record
Permanent link

Direct link
Referera
Referensformat
  • apa
  • 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
How to detect possible pitfalls in ePC-SAFT modelling: Extension to ionic liquids
Stockholms universitet, Naturvetenskapliga fakulteten, Institutionen för material- och miljökemi (MMK). Luleå University of Technology, Sweden; Nanjing Tech University, China; Petru Poni Institute of Macromolecular Chemistry, Romania.
Vise andre og tillknytning
Rekke forfattare: 52020 (engelsk)Inngår i: Fluid Phase Equilibria, ISSN 0378-3812, E-ISSN 1879-0224, Vol. 519, artikkel-id 112641Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

An ion-specific electrolyte perturbed-chain statistical associating fluid theory (ePC-SAFT) has been developed to describe the thermodynamic and transport properties of ionic liquids (ILs) for developing IL-based technologies to separate CO2 from gas mixtures. However, as it has been pointed out previously, SAFT-based models can lead to a pitfall, manifesting as an additional fictitious liquid-liquid critical line connected to an additional mechanically stable critical point when modeling pure substances. In this work, a method for detecting a pitfall in ILs was developed, where an expression with ionic term for calculating the critical point with ePC-SAFT was derived and an algorithm for detecting the additional fictitious phase equilibrium for ILs was proposed. The pitfall occurrence for an extended set ILs taken from our previous work was investigated. It shows that a pitfall occurs only for one single IL among all 96 ILs in the temperature and pressure range of interest. For [C(8)mpy][BF4], at 290.27-291.78 K, a pitfall may occur at the pressures of interest; at 273.15-290.20 K, it may occur at any given pressure. The ion-specific ePC-SAFT parameters for [C(8)mpy](+) may therefore need to be modified in the future when more reliable experimental results are available for parameter fitting.

sted, utgiver, år, opplag, sider
2020. Vol. 519, artikkel-id 112641
Emneord [en]
ePC-SAFT, Ionic liquids, Pitfall, Critical point, Additional phase equilibrium
HSV kategori
Identifikatorer
URN: urn:nbn:se:su:diva-183931DOI: 10.1016/j.fluid.2020.112641ISI: 000542072400004OAI: oai:DiVA.org:su-183931DiVA, id: diva2:1462079
Tilgjengelig fra: 2020-08-28 Laget: 2020-08-28 Sist oppdatert: 2022-02-25bibliografisk kontrollert

Open Access i DiVA

Fulltekst mangler i DiVA

Andre lenker

Forlagets fulltekst

Person

Laaksonen, Aatto

Søk i DiVA

Av forfatter/redaktør
Laaksonen, Aatto
Av organisasjonen
I samme tidsskrift
Fluid Phase Equilibria

Søk utenfor DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric

doi
urn-nbn
Totalt: 34 treff
RefereraExporteraLink to record
Permanent link

Direct link
Referera
Referensformat
  • apa
  • 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