NDLI: A Rational Approach to $CO_{2}$ Capture by Imidazolium Ionic Liquids: Tuning $CO_{2}$ Solubility by Cation Alkyl Branching

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A Rational Approach to $CO_{2}$ Capture by Imidazolium Ionic Liquids: Tuning $CO_{2}$ Solubility by Cation Alkyl Branching

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Corvo, Marta C. Sardinha, João Casimiro, Teresa Marin, Graciane Seferin, Marcus Einloft, Sandra Menezes, Sonia C. Dupont, Jairton Cabrita, Eurico J.
Description	Author Affiliation: Corvo MC ( REQUIMTE, UCIBIO, LAQV, Dep. Química, Fac. Ciências e Tecnologia, UNL, 2829-516 Caparica (Portugal). marta.corvo@fct.unl.pt.); Sardinha J ( REQUIMTE, UCIBIO, LAQV, Dep. Química, Fac. Ciências e Tecnologia, UNL, 2829-516 Caparica (Portugal).); Casimiro T ( REQUIMTE, UCIBIO, LAQV, Dep. Química, Fac. Ciências e Tecnologia, UNL, 2829-516 Caparica (Portugal).); Marin G ( Institute of Chemistry, UFRGS, Av. Bento Gonçalves 9500, 91501-970 Porto Alegre, RS (Brazil).); Seferin M ( PUCRS, Fac. Química, BR-90619900 Porto Alegre, RS (Brazil).); Einloft S ( PUCRS, Fac. Química, BR-90619900 Porto Alegre, RS (Brazil).); Menezes SC ( PETROBRAS/CENPES, 21941-915 Rio de Janeiro, R.J. (Brazil).); Dupont J ( Institute of Chemistry, UFRGS, Av. Bento Gonçalves 9500, 91501-970 Porto Alegre, RS (Brazil).); Cabrita EJ ( School of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD (UK).)
Abstract	Branching at the alkyl side chain of the imidazolium cation in ionic liquids (ILs) was evaluated towards its effect on carbon dioxide $(CO_{2})$ solubilization at 10 and 80 bar $(1 bar=1×10^{5} Pa).$ By combining high-pressure NMR spectroscopy measurements with molecular dynamics simulations, a full description of the molecular interactions that take place in the $IL–CO_{2}$ mixtures can be obtained. The introduction of a methyl group has a significant effect on $CO_{2}$ solubility in comparison with linear or fluorinated analogues. The differences in $CO_{2}$ solubility arise from differences in liquid organization caused by structural changes in the cation. ILs with branched cations have similar short-range cation–anion orientations as those in ILs with linear side chains, but present differences in the long-range order. The introduction of $CO_{2}$ does not cause perturbations in the former and benefits from the differences in the latter. Branching at the cation results in sponge-like ILs with enhanced capabilities for $CO_{2}$ capture.
File Format	HTM / HTML
ISSN	18645631
Issue Number	11
Volume Number	8
e-ISSN	1864564X
Journal	ChemSusChem
Language	English
Publisher	Wiley-VCH
Publisher Date	2015-06-08
Publisher Place	Germany
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Ionic Liquids Solvents Research Support, Non-u.s. Gov't Molecular Conformation Discipline Sustainable Chemistry Isolation & Purification Solubility Alkanes Carbon Dioxide Molecular Dynamics Simulation Journal Article Chemistry Imidazoles Diffusion
Content Type	Text
Resource Type	Article
Subject	Energy Environmental Chemistry Materials Science Chemical Engineering

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Modeling the Solubility of Carbon Dioxide in Imidazolium-Based Ionic Liquids with the PC-SAFT Equation of State

A Rational Approach to $CO_{2}$ Capture by Imidazolium Ionic Liquids: Tuning $CO_{2}$ Solubility by Cation Alkyl Branching

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