Interactions of pyridinium, pyrrolidinium or piperidinium based ionic liquids with water: measurements and COSMO-RS modelling
Data(s) |
10/10/2016
10/10/2016
2016
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Resumo |
Looking for a better knowledge concerning water and ionic liquids (ILs) interactions, a systematic study of the activity coefficients of water in pyridinium, pyrrolidinium and piperidinium-based ILs at 298.2 K is here presented based on water activity measurements. Additionally, the study of the structural effects of the pyridinium-based cation is also pursued. The results show that non-aromatic ILs are interacting more with water than aromatic ones, and among the ortho, meta and para isomers of 1-butyl-methylpyridinium chloride, the ortho position confers a more hydrophilic character to that specific IL. The physicalchemistry of the solutions was interpreted based on dissociation constants, natural bond orbitals and excess enthalpies providing a sound basis for the interpretation of the experimental observations. These results show that hydrogen bonding controls the behavior of these systems, being the anion-water one of the most relevant interactions, but modulated by the anionecation interactions. This work is being developed in the scope of the projects CICECO-Aveiro Institute of Materials (Ref. FCT UID /CTM /50011/ 2013), financed by national funds through the FCT/MEC and when applicable co-financed by FEDER under the PT2020 Partnership Agreement, and LSRE/LCM (Ref. FCT UID/EQU/50020/2013). Imran Khan and Mohamed Taha acknowledge Fundaç~ao para a Ciȇncia e Tecnologia for the postdoctoral grants SFRH/BPD/76850/2011 and SFRH/BPD/78441/2011, respectively. The authors I. Khan also acknowledges for financial support from FCT for the project EXPL/ QEQ-PRS/0224/2013. |
Identificador |
Khan, Imran; Taha, Mohamed; Pinho, Simão; Coutinho, João A.P. (2016) - Interactions of pyridinium, pyrrolidinium or piperidinium based ionic liquids with water: measurements and COSMO-RS modelling. Fluid Phase Equilibria. ISSN 0378-3812. 414, p.93-100 0378-3812 http://hdl.handle.net/10198/13375 10.1016/j.fluid.2016.01.014 |
Idioma(s) |
eng |
Relação |
info:eu-repo/grantAgreement/FCT/5876/147332/PT info:eu-repo/grantAgreement/FCT/5876/147286/PT info:eu-repo/grantAgreement/FCT/5876/147286/PT info:eu-repo/grantAgreement/FCT/SFRH/SFRH%2FBPD%2F76850%2F2011/PT info:eu-repo/grantAgreement/FCT/SFRH/SFRH%2FBPD%2F78441%2F2011/PT info:eu-repo/grantAgreement/FCT/5876-PPCDTI/133246/PT |
Direitos |
restrictedAccess http://creativecommons.org/licenses/by/4.0/ |
Palavras-Chave | #Activity coefficient #Water activity #COSMO-RS #Hydrogen bonding #Excess enthalpy |
Tipo |
article |