Prediction of gas solubilities in ionic liquids

2011 ◽  
Vol 13 (38) ◽  
pp. 17262 ◽  
Author(s):  
Alexander A. Oliferenko ◽  
Polina V. Oliferenko ◽  
Kenneth R. Seddon ◽  
José S. Torrecilla
Keyword(s):  
Ionic Liquids ◽  
Gas Solubilities

Modeling gas solubilities in imidazolium based ionic liquids with the [Tf 2 N] anion using the GC-EoS

2016 ◽  
Vol 409 ◽  
pp. 408-416 ◽  
Author(s):  
Selva Pereda ◽  
Sona Raeissi ◽  
Alfonsina E. Andreatta ◽  
Susana B. Bottini ◽  
Maaike Kroon ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Gas Solubilities

Gas solubilities in ionic liquids and related measurement techniques

2008 ◽  
pp. 229-241
Author(s):  
Joan Frances Brennecke ◽  
Zulema Lopez-Castillo ◽  
Berlyn Rose Mellein
Keyword(s):  
Ionic Liquids ◽  
Measurement Techniques ◽  
Gas Solubilities

Ideal Gas Solubilities and Solubility Selectivities in a Binary Mixture of Room-Temperature Ionic Liquids

2008 ◽  
Vol 112 (8) ◽  
pp. 2335-2339 ◽  
Author(s):  
Alexia Finotello ◽  
Jason E. Bara ◽  
Suguna Narayan ◽  
Dean Camper ◽  
Richard D. Noble
Keyword(s):  
Ionic Liquids ◽  
Binary Mixture ◽  
Room Temperature ◽  
Ideal Gas ◽  
Room Temperature Ionic Liquids ◽  
Gas Solubilities

Gas Solubilities in Ionic Liquids

ChemInform ◽  
2003 ◽  
Vol 34 (26) ◽  
Author(s):  
Joan F. Brennecke ◽  
Jennifer L. Anthony ◽  
Edward J. Maginn
Keyword(s):  
Ionic Liquids ◽  
Gas Solubilities

Irregular Ionic Lattice Model for Gas Solubilities in Ionic Liquids

2004 ◽  
Vol 43 (5) ◽  
pp. 1296-1301 ◽  
Author(s):  
Moonis R. Ally ◽  
Jerry Braunstein ◽  
Ruth E. Baltus ◽  
Sheng Dai ◽  
David W. DePaoli ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Lattice Model ◽  
Gas Solubilities ◽  
Ionic Lattice

Gas Solubilities in Room-Temperature Ionic Liquids

2004 ◽  
Vol 43 (12) ◽  
pp. 3049-3054 ◽  
Author(s):  
Dean Camper ◽  
Paul Scovazzo ◽  
Carl Koval ◽  
Richard Noble
Keyword(s):  
Ionic Liquids ◽  
Room Temperature ◽  
Room Temperature Ionic Liquids ◽  
Gas Solubilities

Prediction and Validation of Carbon Dioxide Gas Solubility in Ionic Liquids at T=298K and Atmospheric Pressure using Quantum Chemical Approach

2011 ◽  
Vol 6 (1) ◽  
Author(s):  
Anantharaj Ramalingam ◽  
Tamal Banerjee
Keyword(s):  
Carbon Dioxide ◽  
Ionic Liquids ◽  
Quantum Chemical ◽  
Ring Structure ◽  
Gas Solubility ◽  
Absolute Deviation ◽  
Carbon Dioxide Gas ◽  
Infinite Dilution Activity Coefficient ◽  
Gas Solubilities ◽  
Carbon Dioxide Co2

Carbon dioxide (CO2) gas solubilities are predicted via quantum chemical calculations, which only requires molecular structure as initial information. The quantum chemical based Conductor like Screening Model for Real Solvents (COSMO-RS) has been adopted for this purpose. Predictions of gas solubility at temperatures ranging from (283.15 to 323.15 K) at 0.1 MPa were done for the IL:[EMIM][TFI]. The relative absolute deviation of around 30% shows that the quality of predictions is highly dependent on the infinite dilution activity coefficient of CO2 in [EMIM][TFI].Additionally thermodynamic parameters such as Gibb’s Energy of solvation, enthalpies and entropies have also been predicted and compared for the IL:[BMIM][BF4]. In addition, the carbon dioxide solubility in 16 ionic liquids comprising of imidazolium and pyridinium based cations was validated with reported values. The Root Mean Square Deviation (RMSD) obtained was: 3.09% [TFI], 6.5% [TFO] and 12% [PF6], respectively. Finally, the Henry’s constants of CO2 in 286 ionic liquids comprising of newer cations such as pyrrolidinium, piperidinium and morpholium were predicted at T=298.15 K. The saturated aromatic ring structure of pyrrolidinium, morpholinium and piperidinium based ionic liquids possessed low Henry’s constant values which indicates high solubility of CO2 in ionic liquids.

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