TY - JOUR
T1 - Prediction of CO2 solubility in ionic liquids using the PSRK model
AU - Hizaddin, Hanee F.
AU - Hadj-Kali, Mohamed K.
AU - Alnashef, Inas M.
AU - Mjalli, Farouq S.
AU - Hashim, Mohd A.
N1 - Funding Information:
This research was funded by the Deanship of Scientific Research at King Saud University through the group project number RGP-VPP-108 in collaboration with the University of Malaya Center for Ionic Liquids (UMCiL)through grant HIR-MOHE D000003-16001 .
Publisher Copyright:
©2015 Elsevier B.V. All rights reserved.
PY - 2015/5/1
Y1 - 2015/5/1
N2 - The predictive Soave-Redlich-Kwong (PSRK) model was applied to predict CO2 solubility in imidazolium-based ionic liquids containing bis(trifluoromethylsulfonyl)imide [Tf2N], tetrafluoroborate [BF4], and hexafluorophosphate [PF6] anions. The UNIFAC PSRK matrix was extended to include these new groups. Binary interaction parameters were obtained by regressing experimental vapor-liquid equilibrium data available in the literature. Experimental data were subjected to a consistency test, and only consistent data were considered during the regression. The model predictions showed satisfactory agreement with the experimental data at pressures up to 5 MPa, with an overall root mean square deviation (RMSD) of 0.31. The prediction ability of the model was tested for ionic liquids containing long alkyl chains, exhibiting an overall RMSD of 0.40. The results indicated that the PSRK model provides a reasonable prediction of CO2 solubility in ionic liquids at pressures not in the vicinity of the critical pressures of CO2 and ionic liquids.
AB - The predictive Soave-Redlich-Kwong (PSRK) model was applied to predict CO2 solubility in imidazolium-based ionic liquids containing bis(trifluoromethylsulfonyl)imide [Tf2N], tetrafluoroborate [BF4], and hexafluorophosphate [PF6] anions. The UNIFAC PSRK matrix was extended to include these new groups. Binary interaction parameters were obtained by regressing experimental vapor-liquid equilibrium data available in the literature. Experimental data were subjected to a consistency test, and only consistent data were considered during the regression. The model predictions showed satisfactory agreement with the experimental data at pressures up to 5 MPa, with an overall root mean square deviation (RMSD) of 0.31. The prediction ability of the model was tested for ionic liquids containing long alkyl chains, exhibiting an overall RMSD of 0.40. The results indicated that the PSRK model provides a reasonable prediction of CO2 solubility in ionic liquids at pressures not in the vicinity of the critical pressures of CO2 and ionic liquids.
KW - CO capture
KW - Ionic liquids
KW - PSRK model
KW - Solubility prediction
UR - http://www.scopus.com/inward/record.url?scp=84939960311&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84939960311&partnerID=8YFLogxK
U2 - 10.1016/j.supflu.2015.02.009
DO - 10.1016/j.supflu.2015.02.009
M3 - Article
AN - SCOPUS:84939960311
SN - 0896-8446
VL - 100
SP - 184
EP - 193
JO - Journal of Supercritical Fluids
JF - Journal of Supercritical Fluids
ER -