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Ionic liquids have become very popular in the last years. They are discussed as "designer solvents" for the use in
- chemical reactions (e. g. biphasic reactions)
- as selective solvent for separation processes
- extraction
- extractive distillation
- absorption, etc.
- electrochemistry, etc.
For the development of new processes using ionic liquids besides the various pure component properties
- viscosity
- density
- heat capacity
- melting point
- heat of fusion
- heat of transition
- thermal conductivity
- surface tension
- speed of sound, etc.
in particular the knowledge of the phase equilibrium behavior as function of temperature, i. e.
- activity coefficients at infinite dilution
- vapor-liquid equilibria
- liquid-liquid equilibria (miscibility gaps)
- solid-liquid equilibria (melting points of mixtures)
- gas solubilities
- salt solubilities
- excess enthalpies (heats of mixing)
- excess heat capacities, ...
with ionic liquids is required.
A few years ago nearly no data were available. But during the last years different research groups started to measure the required pure component properties and mixture data.
Unpublished data from the industrial chemistry research group of Prof. Gmehling and other sources (private communications) as well as published data are continuously stored in special files of
the Dortmund Data Bank. At the moment these files already contain the following amount of data (pure component data, mixture data) for 460 different ionic liquids:
484 publically available sources (mainly scientific articles) have been evaluated but a significant percentage of the data is not available from literature up till now.
If the use of ionic liquids for a specific application is planned (e. g. as solvent for chemical reactions, selective entrainer for the various separation processes – extractive distillation, extraction, absorption or other applications) these data are extremely helpful.
The above mentioned data bank for ionic liquids for internal use within your company is available for a price of 4200 € in form of ASCII-files.
However, for the efficient use of these data we would recommend the use of a software package, which is available for 2100 €. This software package allows to retrieve the data using several search options (components, systems, literature), has graphical
data representations, has copy and print capabilities, and allows data export to PPDX and Aspen® INP files.
Furthermore with the help of the software package the user can define new components or store his own experimental data. At the same time with the software package the required basic data for the compounds used, such as
- name
- formula
- CAS registry number
- Antoine constants with the range of validity
- critical data and acentric factor
- density
- van der Waals properties
- melting point and heat of fusion
- dipole moment, etc.
are delivered. Due to their negligible vapor pressure, properties like Antoine constants, critical data and acentric factor are available for normal organic components but not for the ionic liquids.
Downloads
| 2009 | DDB 2009 - Info-Flyer: Ionic Liquids in the DDB | | Info (PDF) |
| 2008 | DDB 2009 - Info: List of Ionic Liquids | | Info (PDF) |
| 2008 | DDB 2008 - Info: List of Ionic Liquids | | Info (PDF) |
| 2007 | DDB 2007 - Info: List of Ionic Liquids | | Info (PDF) |
| 2005 | DDB 2005 - Info: List of Ionic Liquids | | Info (PDF) |
Selected Scientific Papers
| 2009 | Influence of ionic liquids on the separation factor of three standard separation problems | Westerholt A., Liebert V., Gmehling J. | Journal | Fluid Phase Equilib., 280, 1-2, 56 60 (2009) |
| 2008 | Experimental and predicted phase equilibria and excess properties for systems with ionic liquids | Liebert V., Nebig S., Gmehling J. | Journal | Fluid Phase Equilib., 268, 1-2, 14 20 (2008) |
| 2005 | Systems with Ionic Liquids: Measurement of VLE and gamma-infinite Data and Prediction of their Thermodynamic Behavior using Original UNIFAC, mod. UNIFAC(Do) and COSMO-RS(Ol) | Kato R., Gmehling J. | Journal | J.Chem.Thermodyn., 37, 6, 603 619 (2005) |
| 2004 | Measurement and Correlation of Vapor-Liquid Equilibria and Excess Enthalpies of Binary Systems Containing Ionic Liquids and Hydrocarbons | Kato R., Krummen M., Gmehling J. | Journal | Fluid Phase Equilib., 224, 1, 47 54 (2004) |
Selected Scientific Papers (Experimental Data)
| 2009 | Measurement and Prediction of Activity Coefficients at Infinite Dilution (gamma infinite), Vapor-Liquid Equilibria (VLE) and Excess Enthalpies (hE) of Binary Systems with 1,1-Dialkyl-Pyrrolidinium Bis(Trifluoromethylsulfonyl)imide using Modified UNIFAC (Dortmund) | Nebig S., Liebert V., Gmehling J. | Journal | Fluid Phase Equilib., 277, 1, 61 67 (2009) |
| 2009 | Activity coefficients at infinite dilution of alkanes and alkenes in 1-alkyl-3-methylimidazolium tetrafluoroborate | Bahlmann M., Nebig S., Gmehling J. | Journal | Fluid Phase Equilib., 282, 2, 113 116 (2009) |
| 2007 | Measurement of vapor.liquid equilibria (VLE) and excess enthalpies (HE) of binary systems with 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide and prediction of these properties and gamma infinite using modified UNIFAC (Dortmund) | Nebig S., Boelts R., Gmehling J. | Journal | Fluid Phase Equilib., 258, 2, 168 178 (2007) |
| 2006 | Measurement of Heat Capacities of Ionic Liquids by Differential Scanning Calorimetry | Diedrichs A., Gmehling J. | Journal | Fluid Phase Equilib., 244, 1, 68 77 (2006) |
| 2005 | Measurement and Correlation of Vapor-Liquid Equilibria of Binary Systems Containing the Ionic Liquids [EMIM][(CF3SO2)2N], [BMIM][(CF3SO2)2N], [MMIM][(CH3)2PO4] and Oxygenated Organic Compounds Respectively Water | Kato R., Gmehling J. | Journal | Fluid Phase Equilib., 231, 1, 38 43 (2005) |
| 2005 | Measurement and Prediction of Vapor-Liquid Equilibria of Ternary Systems containing Ionic Liquids | Doeker M., Gmehling J. | Journal | Fluid Phase Equilib., 227, 2, 255 266 (2005) |
| 2004 | Activity Coefficients at Infinite Dilution of Various Solutes in the Ionic Liquids [MMIM]+[CH3SO4]-, [MMIM]+[CH3OC2H4SO4]-, [MMIM]+[(CH3)2PO4]-, [C5H5NC2H5]+[(CF3SO2)2N]- and [C5H5NH]+[C2H5OC2H4OSO3]- | Kato R., Gmehling J. | Journal | Fluid Phase Equilib., 226, 6, 37 44 (2004) |
| 2004 | Measurement of Activity Coefficients at Infinite Dilution of Benzene, Toluene, Ethanol, Esters, Ketones, and Ethers at Various Temperatures in Water Using the Dilutor Technique | Atik Z., Gruber D., Krummen M., Gmehling J. | Journal | J.Chem.Eng.Data, 49, 5, 1429 1432 (2004) |
| 2002 | Measurement of Activity Coefficients at Infinite Dilution of Ionic Liquids Using the Diluter Technique | Krummen M., Wasserscheid P., Gmehling J. | Journal | J.Chem.Eng.Data, 47, 6, 1411 1417 (2002) |
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