Density and Surface Tension of Ionic Liquids

Kolbeck, Claudia; Lehmann, Julia; Lovelock, Kevin R. J.; Cremer, Till; Paape, Natalia; Wasserscheid, Peter; Fröba, Andreas P.; Maier, Florian; Steinrück, Hans‐Peter

doi:10.1021/jp1068413

Cited by 231 publications

(280 citation statements)

References 92 publications

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“…. These values agree well with the calculations of Kolbeck et al [57] We can study the efect of the volume of the ion in the global V m . The ionic volume is a measure of the size of an ion, equally valid for symmetrical and nonsymmetrical ions.…”

Section: Estimation By Group Contribution Methods (Gcmssupporting

confidence: 91%

Predicting Density and Refractive Index of Ionic Liquids

Montalbán¹,

Collado-González²,

Baños³

et al. 2017

Progress and Developments in Ionic Liquids

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The determination of the physicochemical properties of ionic liquids (ILs), such as density and refractive index, is essential for the design of processes that involve ILs. Density has been widely studied in ILs because of its importance whereas refractive index has received less atention even though its determination is rapid, highly accurate and needs a small amount of sample in most techniques. Due to the large number of possible cation and anion combinations, it is not practical to use trial and error methods to ind a suitable ionic liquid for a given function. It would be preferable to predict physical properties of ILs from their structure. We compile in this work diferent methods to predict density and refractive index of ILs from literature. Especially, we describe the method developed by the authors in a previous work for predicting density of ILs through their molecular volume. We also correlate our experimental measurements of density and refractive index of ILs in order to predict one of the parameters knowing the other one as a function of temperature. "s the measurement of refractive index is very fast and needs only a drop of the ionic liquid, this is also a very useful approach.

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Section: Estimation By Group Contribution Methods (Gcmssupporting

confidence: 91%

Predicting Density and Refractive Index of Ionic Liquids

Montalbán¹,

Collado-González²,

Baños³

et al. 2017

Progress and Developments in Ionic Liquids

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“…The influence of the anion on the densities has been explored previously by Kolbeck et al 90 and later by Neves et al 58 In both studies, it was found that the density increases with increasing molar mass of the fluorinated anions, while a reverse trend is observed for the cyano-based anions. One of the explanations for these tendencies was the fact that the introduction of a fluorine atom has a strong influence on the molar weight of a molecule.…”

Section: Densitymentioning

confidence: 88%

Thermophysical properties of imidazolium tricyanomethanide ionic liquids: experiments and molecular simulation

Zubeir

Rocha

Vergadou

et al. 2016

Phys. Chem. Chem. Phys.

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The low-viscous tricyanomethanide ([TCM]À )-based ionic liquids (ILs) are gaining increasing interest as attractive fluids for a variety of industrial applications. The thermophysical properties (density, viscosity, surface tension, electrical conductivity and self-diffusion coefficient) of the 1-alkyl-3-methylimidazolium tricyanomethanide [C n mim][TCM] (n = 2, 4 and 6-8) IL series were experimentally measured over the temperature range from 288 to 363 K. Moreover, a classical force field optimized for the imidazolium-based[TCM] À ILs was used to calculate their thermodynamic, structural and transport properties (density, surface tension, self-diffusion coefficients, viscosity) in the temperature range from 300 to 366 K. The predictions were directly compared against the experimental measurements. The effects of anion and alkyl chain length on the structure and thermophysical properties have been evaluated. In cyano-based ILs, the density decreases with increasing molar mass, in contrast to the behavior of the fluorinated anions, being in agreement with the literature. The contribution per -CH 2 -group to the increase of the viscosity presents the following sequence: The experimentally determined self-diffusion coefficients of the cations are in good agreement with the molecular simulation predictions, in which a decrease of the self-diffusion of the cations with increasing alkyl chain length is observed with a simultaneous increase in viscosity and for the longer alkyl lengths the anion becomes more mobile than the cation.

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“…At this interface, the composition of, and molecular arrangement at, the surface will be different to the bulk due to the unbalanced forces, which are present as a result of the non-isotropic environment. An understanding of the IL interfaces at a molecular level is also crucial in order to explain fundamental macroscopic surface properties such as surface tension [ 79,80 ] and electron transfer processes in electrochemistry. [ 3 , 81 ] The discussion on IL surface structure often involves two different but interrelated aspects: surface composition and molecular orientation at the surface.…”

Section: The Ionic Liquid-vacuum Interfacementioning

confidence: 99%

Surface Science and Model Catalysis with Ionic Liquid‐Modified Materials

et al. 2011

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Materials making use of thin ionic liquid (IL) films as support-modifying functional layer open up a variety of new possibilities in heterogeneous catalysis, which range from the tailoring of gas-surface interactions to the immobilization of molecularly defined reactive sites. The present report reviews recent progress towards an understanding of "supported ionic liquid phase (SILP)" and "solid catalysts with ionic liquid layer (SCILL)" materials at the microscopic level, using a surface science and model catalysis type of approach. Thin film IL systems can be prepared not only ex-situ, but also in-situ under ultrahigh vacuum (UHV) conditions using atomically well-defined surfaces as substrates, for example by physical vapor deposition (PVD). Due to their low vapor pressure, these systems can be studied in UHV using the full spectrum of surface science techniques. We discuss general strategies and considerations of this approach and exemplify the information available from complementary methods, specifically photoelectron spectroscopy and surface vibrational spectroscopy.

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Density and Surface Tension of Ionic Liquids

Cited by 231 publications

References 92 publications

Predicting Density and Refractive Index of Ionic Liquids

Predicting Density and Refractive Index of Ionic Liquids

Thermophysical properties of imidazolium tricyanomethanide ionic liquids: experiments and molecular simulation

Surface Science and Model Catalysis with Ionic Liquid‐Modified Materials

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