Phase behaviour, interactions, and structural studies of (Amines+Ionic liquids) binary mixtures

Johan Jacquemin; Magdalena Bendová; Zuzana Sedláková; Marijana Blesic; John D. Holbrey; Claire L. Mullan; Tristan G A Youngs; Laure Pison; Zdeněk Wagner; Karel Aim; Margarida F Costa Gomes; Christopher Hardacre

doi:10.1002/cphc.201100952

Phase behaviour, interactions, and structural studies of (Amines+Ionic liquids) binary mixtures

Johan Jacquemin^*, Magdalena Bendová, Zuzana Sedláková, Marijana Blesic, John D. Holbrey, Claire L. Mullan, Tristan G A Youngs, Laure Pison, Zdeněk Wagner, Karel Aim, Margarida F Costa Gomes, Christopher Hardacre

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Abstract

We present a study on the phase equilibrium behaviour of binary mixtures containing two 1-alkyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide- based ionic liquids, [C _nmim] [NTf ₂] (n=2 and 4), mixed with diethylamine or triethylamine as a function of temperature and composition using different experimental techniques. Based on this work, two systems showing an LCST and one system with a possible hourglass shape are measured. Their phase behaviours are then correlated and predicted by using Flory-Huggins equations and the UNIQUAC method implemented in Aspen. The potential of the COSMO-RS methodology to predict the phase equilibria was also tested for the binary systems studied. However, this methodology is unable to predict the trends obtained experimentally, limiting its use for systems involving amines in ionic liquids. The liquid-state structure of the binary mixture ([C ₂mim] [NTf ₂]+diethylamine) is also investigated by molecular dynamics simulation and neutron diffraction. Finally, the absorption of gaseous ethane by the ([C ₂mim][NTf ₂]+diethylamine) binary mixture is determined and compared with that observed in the pure solvents.

Original language	English
Pages (from-to)	1825-1835
Number of pages	11
Journal	ChemPhysChem
Volume	13
Issue number	7
DOIs	https://doi.org/10.1002/cphc.201100952
Publication status	Published - 14 May 2012

Keywords

amines
interactions
ionic liquids
phase equilibria
structure

Access to Document

10.1002/cphc.201100952

Cite this

@article{55095326e4804f0680d6e02feb3a5b30,

title = "Phase behaviour, interactions, and structural studies of (Amines+Ionic liquids) binary mixtures",

abstract = "We present a study on the phase equilibrium behaviour of binary mixtures containing two 1-alkyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide- based ionic liquids, [C nmim] [NTf 2] (n=2 and 4), mixed with diethylamine or triethylamine as a function of temperature and composition using different experimental techniques. Based on this work, two systems showing an LCST and one system with a possible hourglass shape are measured. Their phase behaviours are then correlated and predicted by using Flory-Huggins equations and the UNIQUAC method implemented in Aspen. The potential of the COSMO-RS methodology to predict the phase equilibria was also tested for the binary systems studied. However, this methodology is unable to predict the trends obtained experimentally, limiting its use for systems involving amines in ionic liquids. The liquid-state structure of the binary mixture ([C 2mim] [NTf 2]+diethylamine) is also investigated by molecular dynamics simulation and neutron diffraction. Finally, the absorption of gaseous ethane by the ([C 2mim][NTf 2]+diethylamine) binary mixture is determined and compared with that observed in the pure solvents.",

keywords = "amines, interactions, ionic liquids, phase equilibria, structure",

author = "Johan Jacquemin and Magdalena Bendov{\'a} and Zuzana Sedl{\'a}kov{\'a} and Marijana Blesic and Holbrey, {John D.} and Mullan, {Claire L.} and Youngs, {Tristan G A} and Laure Pison and Zden{\v e}k Wagner and Karel Aim and Gomes, {Margarida F Costa} and Christopher Hardacre",

year = "2012",

month = may,

day = "14",

doi = "10.1002/cphc.201100952",

language = "English",

volume = "13",

pages = "1825--1835",

journal = "ChemPhysChem",

issn = "1439-4235",

publisher = "John Wiley & Sons Ltd",

number = "7",

}

TY - JOUR

T1 - Phase behaviour, interactions, and structural studies of (Amines+Ionic liquids) binary mixtures

AU - Jacquemin, Johan

AU - Bendová, Magdalena

AU - Sedláková, Zuzana

AU - Blesic, Marijana

AU - Holbrey, John D.

AU - Mullan, Claire L.

AU - Youngs, Tristan G A

AU - Pison, Laure

AU - Wagner, Zdeněk

AU - Aim, Karel

AU - Gomes, Margarida F Costa

AU - Hardacre, Christopher

PY - 2012/5/14

Y1 - 2012/5/14

N2 - We present a study on the phase equilibrium behaviour of binary mixtures containing two 1-alkyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide- based ionic liquids, [C nmim] [NTf 2] (n=2 and 4), mixed with diethylamine or triethylamine as a function of temperature and composition using different experimental techniques. Based on this work, two systems showing an LCST and one system with a possible hourglass shape are measured. Their phase behaviours are then correlated and predicted by using Flory-Huggins equations and the UNIQUAC method implemented in Aspen. The potential of the COSMO-RS methodology to predict the phase equilibria was also tested for the binary systems studied. However, this methodology is unable to predict the trends obtained experimentally, limiting its use for systems involving amines in ionic liquids. The liquid-state structure of the binary mixture ([C 2mim] [NTf 2]+diethylamine) is also investigated by molecular dynamics simulation and neutron diffraction. Finally, the absorption of gaseous ethane by the ([C 2mim][NTf 2]+diethylamine) binary mixture is determined and compared with that observed in the pure solvents.

AB - We present a study on the phase equilibrium behaviour of binary mixtures containing two 1-alkyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide- based ionic liquids, [C nmim] [NTf 2] (n=2 and 4), mixed with diethylamine or triethylamine as a function of temperature and composition using different experimental techniques. Based on this work, two systems showing an LCST and one system with a possible hourglass shape are measured. Their phase behaviours are then correlated and predicted by using Flory-Huggins equations and the UNIQUAC method implemented in Aspen. The potential of the COSMO-RS methodology to predict the phase equilibria was also tested for the binary systems studied. However, this methodology is unable to predict the trends obtained experimentally, limiting its use for systems involving amines in ionic liquids. The liquid-state structure of the binary mixture ([C 2mim] [NTf 2]+diethylamine) is also investigated by molecular dynamics simulation and neutron diffraction. Finally, the absorption of gaseous ethane by the ([C 2mim][NTf 2]+diethylamine) binary mixture is determined and compared with that observed in the pure solvents.

KW - amines

KW - interactions

KW - ionic liquids

KW - phase equilibria

KW - structure

UR - http://www.scopus.com/inward/record.url?scp=84861066773&partnerID=8YFLogxK

U2 - 10.1002/cphc.201100952

DO - 10.1002/cphc.201100952

M3 - Article

AN - SCOPUS:84861066773

SN - 1439-4235

VL - 13

SP - 1825

EP - 1835

JO - ChemPhysChem

JF - ChemPhysChem

IS - 7

ER -

Phase behaviour, interactions, and structural studies of (Amines+Ionic liquids) binary mixtures

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this