Predicting the Thermodynamic Behaviour of Water + Ionic Liquids Systems Using COSMO‐RS

Freire, Mara G.; Santos, Luı́s M. N. B. F.; Marrucho, Isabel M.; Coutinho, João A. P.

doi:10.1002/9780470947777.ch8

Cited by 2 publications

(4 citation statements)

References 32 publications

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“…They found high solubilities of water in selected imidazole-based and choline-based ionic liquids and correlated the VLE data successfully by using an equation of state model. 44 Freire et al 45 evaluated the predictive capability of COSMO-RS for liquid−liquid equilibria (LLE) and vapor−liquid equilibria (VLE) of water and several imidazolium-based ionic liquid mixtures.…”

Section: 1) Increasing Alkyl Chains Has Little Effect For [Emim][etso...mentioning

confidence: 99%

“…For water/ionic liquid systems the experimental and theoretical results obtained so far can be subdivided into the following groups: Thermodynamic evaluations focusing on measuring and modeling vapor–liquid equilibria (VLE) or selected P , T , x -data − …”

Section: Absorption Cooling Using Ionic Liquid Based Working Pairsmentioning

confidence: 99%

“…Thermodynamic evaluations focusing on measuring and modeling vapor–liquid equilibria (VLE) or selected P , T , x -data − …”

Section: Absorption Cooling Using Ionic Liquid Based Working Pairsmentioning

confidence: 99%

“…Freire et al evaluated the predictive capability of COSMO-RS for liquid–liquid equilibria (LLE) and vapor–liquid equilibria (VLE) of water and several imidazolium-based ionic liquid mixtures.…”

Section: Absorption Cooling Using Ionic Liquid Based Working Pairsmentioning

confidence: 99%

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Sustainable Cooling Strategies Using New Chemical System Solutions

Seiler

Kühn

Ziegler

et al. 2013

Ind. Eng. Chem. Res.

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Energy-efficient cooling concepts play an important role for numerous applications in the area of comfort and industrial cooling. In this regard, it represents a huge challenge to ensure that the cooling demand of industrialized countries is covered in a sustainable manner with a drastically reduced carbon footprint. In recent years, several innovations in the field of absorption have been introduced. While some of them are based on process improvements, other innovations are based on newly developed chemical system solutions. One example is the use of new working pairs for absorption chillers. In the past, working pair related drawbacks such as crystallization, corrosion, and instability led to a number of innovation barriers. One very promising way to overcome these drawbacks and thereby to allow for new or improved absorption chiller processes is the replacement of the state-of-the-art absorbent LiBr by a suitable ionic liquid (IL). This review aims at discussing new, energyefficient cooling concepts with a special focus on using ionic liquid based working pairs in absorption chillers/absorption heat pumps. The most relevant research and development activities are analyzed, a patent overview is provided, and both new technological opportunities and remaining scientific challenges are identified. Although a large number of ionic liquid papers have been published in this field during the last 10 years, many contributions do not adequately address the interdisciplinary set of application requirements and do not fully recognize that most imidazole-based ionic liquids are not suitable for being used in multieffect absorption cycles since their (in)stability at high temperatures in the presence of water and the resulting cooling capacity do not meet the industrial requirements.

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Section: 1) Increasing Alkyl Chains Has Little Effect For [Emim][etso...mentioning

confidence: 99%

Section: Absorption Cooling Using Ionic Liquid Based Working Pairsmentioning

confidence: 99%

“…Thermodynamic evaluations focusing on measuring and modeling vapor–liquid equilibria (VLE) or selected P , T , x -data − …”

Section: Absorption Cooling Using Ionic Liquid Based Working Pairsmentioning

confidence: 99%

Section: Absorption Cooling Using Ionic Liquid Based Working Pairsmentioning

confidence: 99%

See 2 more Smart Citations

Sustainable Cooling Strategies Using New Chemical System Solutions

Seiler

Kühn

Ziegler

et al. 2013

Ind. Eng. Chem. Res.

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ILPC: simple chemometric tool supporting the design of ionic liquids

et al. 2016

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BackgroundIonic liquids (ILs) found a variety of applications in today’s chemistry. Since their properties depend on the ions constituting particular ionic liquid, it is possible to synthetize IL with desired specification, dependently on its further function. However, this task is not trivial, since knowledge regarding the influence of particular ion on the property of concern is crucial. Therefore, there is a strong need for new, fast and inexpensive methods supporting the process of ionic liquids’ design, making it possible to predefine IL’s properties even before the synthesis.ResultsWe have developed a simple tool (called Ionic Liquid PhysicoChemical predictor: ILPC) that allows for the simultaneous qualitative prediction of four physicochemical properties of ionic liquids: viscosity, n-octanol–water partition coefficient, solubility and enthalpy of fusion. By the means of Principal Component Analysis, we studied 172 ILs and defined distribution trends of those four properties, dependently on the ILs structures. We proved that the qualitative prediction of mentioned properties could be performed on the basis of most simple information we can deliver about ILs, which are their molecular formulas.ConclusionsCreated tool presented in this paper allows fast, pre-synthesis screening of ILs, with the omission of any experimental steps. It can be helpful in the process of designing ILs with preferred properties. We proved that the information encrypted in molecular formula of ionic liquid could be a valuable source of knowledge regarding the IL’s viscosity, n-octanol–water partition coefficient, solubility and enthalpy of fusion. Moreover, we proved that the influence of both ions, constituting the IL, on each of those four properties indicates same, additive trend.Graphical AbstractSchematic representation of ILPC performance - the exact position of the ionic liquid on the linear map is determined by its chemical structureElectronic supplementary materialThe online version of this article (doi:10.1186/s13321-016-0152-4) contains supplementary material, which is available to authorized users.

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Predicting the Thermodynamic Behaviour of Water + Ionic Liquids Systems Using COSMO‐RS

Cited by 2 publications

References 32 publications

Sustainable Cooling Strategies Using New Chemical System Solutions

Sustainable Cooling Strategies Using New Chemical System Solutions

ILPC: simple chemometric tool supporting the design of ionic liquids

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