Tailor-made ionic liquids

Jork, Carsten; Kristen, C; Pieraccini, Daniela; Stark, Annegret; Chiappe, Cinzia; Beste, Ya; Arlt, Wolfgang

doi:10.1016/j.jct.2005.04.013

Cited by 184 publications

(154 citation statements)

References 20 publications

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“…A conformational analysis needs to be carried out for such molecules. Jork et al 53 obtained the conformers assuming the ions to be in vacuum with their potential energy calculated from a semiempirical method. Then an averaging was carried out over all conformers using a Boltzmanweighting algorithm.…”

Section: Conformational Analysismentioning

confidence: 99%

Liquid–liquid equilibrium for ionic liquid systems using COSMO‐RS: Effect of cation and anion dissociation

2008

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in Wiley InterScience (www.interscience.wiley.com).Ionic liquids with their limitless combination of cations and anions can offer an optimal solvent for a specific purpose. But not all corresponding experimental studies are possible as they will be time consuming and expensive. A judicious screening of the various possible solvents is required to select the proper ionic liquid. Conductor-like screening model (COSMO) along with its extension to real solvents can be used for these predictions. In this work, modified version COSMO_LL has been used to predict the liquidliquid equilibria (LLE) for 32 ternary systems, available in literature, each having an ionic liquid. A complete dissociation of cations and anions of the ionic liquid has been assumed. The root mean square deviation for all these systems is ;9% which is excellent when compared with ;50% obtained for predictions using the nondissociated composite molecule. Additionally, experimental LLE data has been collected for four ternary systems, namely: (a)

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Section: Conformational Analysismentioning

confidence: 99%

Liquid–liquid equilibrium for ionic liquid systems using COSMO‐RS: Effect of cation and anion dissociation

2008

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“…As a first step in this feasibility study, we will determine, based on experimental observations, distribution coefficients and selectivities for multicomponent liquid-liquid extraction of 1-butanol from water using three different ILs, namely 1-(6-hydroxyhexyl)-3- (Freire et al, 2007;Jork et al, 2005). More recently, COSMO-RS has been modified for LLE (COSMO_LL), yielding better ternary predictions involving ILs, but still with much room for improvement (Banerjee et al, 2008).…”

Section: Introductionmentioning

confidence: 99%

Extraction of biofuels and biofeedstocks from aqueous solutions using ionic liquids

Simoni

Chapeaux

Brennecke

et al. 2010

Computers & Chemical Engineering

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The production from biomass of chemicals and fuels by fermentation, biocatalysis, and related techniques implies energy-intensive separations of organics from relatively dilute aqueous solutions, and may require use of hazardous materials as entrainers to break azeotropes.We consider the design feasibility of using ionic liquids as solvents in liquid-liquid extractions for separating organic compounds from dilute aqueous solutions. As an example, we focus on the extraction of 1-butanol from a dilute aqueous solution. We have recently shown (Chapeaux et al., 2008) that 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide shows significant promise as a solvent for extracting 1-butanol from water. We will consider here two additional ionic liquids, 1-(6-hydroxyhexyl)-3-methylimidazolium bis-(trifluoromethylsulfonyl)imide and 1-hexyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate, as extraction solvents for 1-butanol. Preliminary design feasibility calculations will be used to compare the three ionic liquid extraction solvents considered. The ability to predict the observed ternary liquid-liquid equilibrium behavior using selected excess Gibbs energy models, with parameters estimated solely using binary data and pure component properties, will also be explored.

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“…The large number of combinations possible allows for the ability to fine-tune the solvent properties for a specific purpose, creating socalled "designer solvents". 1 RTILs also have a number of interesting physical properties, including low-volatility, high thermal stability, high viscosity, high polarity, high intrinsic conductivity and a wide electrochemical window. 2 Their low volatility has allowed a recent study 3 of solute solubility in RTILs using X-ray Photoelectron Spectroscopy (a technique usually only applied to solids) and also means they may have environmental benefits as "greener" alternatives to volatile organic solvents.…”

Section: Introductionmentioning

confidence: 99%

The electrochemistry of simple inorganic molecules in room temperature ionic liquids

Silvester¹,

Rogers²,

Barrosse-Antle³

et al. 2008

J. Braz. Chem. Soc.

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A eletroquímica de compostos inorgânicos simples em líquidos iônicos a temperatura ambiente (RTIL) é revisada e alguns trabalhos novos nesta área são apresentados. Este artigo focaliza a comparação entre o comportamento eletroquímico em RTILs e em solventes apróticos convencionais. Alguns compostos (iodetos, O 2 , NO 2 , SO 2 , NH 3 ) apresentam reações e mecanismos similares em RTILs e em solventes apróticos (como é observado para compostos orgânicos). Entretanto, outras espécies (nitratos, PCl 3 , POCl 3 ) mostram comportamento excepcionalmente diferente em relação aos solventes tradicionais. Isto torna os RTILs um meio promissor para o estudo de compostos inorgânicos, e destaca a necessidade de maiores investigações nesta área.The electrochemistry of simple inorganic compounds in room temperature ionic liquids (RTILs) is reviewed and some new work in this area is presented. This paper focuses on the comparison between electrochemical behaviour in RTILs and in conventional aprotic solvents. Some compounds (iodides, O 2 , NO 2 , SO 2 , NH 3 ) display similar reactions and mechanisms in RTILs as in aprotic solvents (as is observed for organic compounds). However other species (nitrates, PCl 3 , POCl 3 ) show remarkably different behaviour to traditional solvents. This makes RTILs very promising media for the study of inorganic compounds, and highlights the need for more investigations in this exciting area.

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Tailor-made ionic liquids

Cited by 184 publications

References 20 publications

Liquid–liquid equilibrium for ionic liquid systems using COSMO‐RS: Effect of cation and anion dissociation

Liquid–liquid equilibrium for ionic liquid systems using COSMO‐RS: Effect of cation and anion dissociation

Extraction of biofuels and biofeedstocks from aqueous solutions using ionic liquids

The electrochemistry of simple inorganic molecules in room temperature ionic liquids

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