Following the great success of the Dortmund Data Bank (DDB) for mixture data (phase equilibria, excess properties, ...)
and the models developed on the basis of these data (UNIFAC, mod. UNIFAC, PSRK, VTPR, LIQUAC, ...), the development of a pure component
database (DDB-PURE) was a further step to supply the industry with the required experimental data, reliable predictive methods, reliable
correlation parameters and modern software for the correlation and estimation of thermophysical data.
In cooperation with research groups
in different countries and financed by the German and Austrian federal ministries for research and technology all worldwide published data
are collected and stored in a factual database. In contrast to other collections, also East European and Asian literature is carefully
evaluated, especially with respect to deposited documents.
The data bank was built up between 1992 and 2001 at
- University of Oldenburg, Industrial Chemistry
- DDBST GmbH, Oldenburg
- Institute of Chemical Technology,Prague
- Estonian Academy of Sciences
- FIZ CHEMIE Berlin
- Technical University of Minsk
- Technical University of Graz
As an example for the data (207,102 data sets in total) in DDB-PURE, the thermal conductivity of water is shown in the figure above.
The current status of the databank is shown in the table below
(Version 2011):
DDB-PURE is now the by far largest data bank in the DDB. Due to it's size, licensing is available not only for the full data bank but also for certain groups of properties:
DDB-PURE is intensively used for the development of property estimation methods. This led to the detection of numerous errors in both literature and data input and resulted in
a data collection of exceptional reliability. In addition, the amount of data in DDB-PURE largely exceeds those in competing data banks.
DDB-PURE is intensively used for the development of property estimation methods. This led to the detection of numerous errors in both literature and data input and resulted in
a data collection of exceptional reliability. In addition, the amount of data in DDB-PURE largely exceeds those of competing data banks.
Selected Scientific Papers
| 2009 | Estimation of pure component properties. Part 4: Estimation of the saturated liquid viscosity of non-electrolyte organic compounds via group contributions and group interactions | Nannoolal Y., Rarey J., Ramjugernath D. | Journal | Fluid Phase Equilib., 281 (2), 97 119 (2009) |
| 2008 | Estimation of the vapour pressure of non-electrolyte organic compounds via group contributions and group interactions | Moller B., Rarey J., Ramjugernath D. | Journal | J.Mol.Liq., 143, 1, 52 63 (2008) |
| 2008 | Development of an Improved Group Contribution Method for the Prediction of Vapour Pressures of Organic Compounds, Bruce Moller, MSc. Thesis, 2008 | | | MSc. Thesis, 2008 |
| 2008 | Estimation of pure component properties: Part 3. Estimation of the vapor pressure of non-electrolyte organic compounds via group contributions and group interactions | Nannoolal Y., Rarey J., Ramjugernath D. | Journal | Fluid Phase Equilib., 269(1-2), 117-133 (2008) |
| 2007 | Estimation of pure component properties Part 2. Estimation of critical property data by group contribution | Nannoolal Y., Rarey J., Ramjugernath J. | Journal | Fluid Phase Equilib., 252, 1-2, 1 27 (2007) |
| 2007 | Development and Critical Evaluation of Group Contribution Methods for the Estimation of Critical Properties, Liquid Vapour Pressure and Liquid Viscosity of Organic Compounds, Yash Nannoolal, PhD Thesis, 2006 | | | PhD Thesis, 2006 |
| 2004 | Estimation of Pure Component Properties. Part 1. Estimation of the Normal Boiling Point of Non-Electrolyte Organic Compounds via Group Contributions and Group Interactions | Nannoolal Y., Rarey J., Ramjugernath D., Cordes W. | Journal | Fluid Phase Equilib., 226, 1, 45 63 (2004) |
| 2003 | Extension and Revision of the Group Contribution Method GCVOL for the Prediction of Pure Compound Liquid Densities | Ihmels E.C., Gmehling J. | Journal | Ind.Eng.Chem.Res., 42, 2, 408 412 (2003) |
| 2003 | An equation of state and compressed liquid and supercritical densities for sulfur dioxide | Ihmels C.E., Lemmon E.W., Gmehling J. | Journal | Fluid Phase Equilib., 207, 1-2, 111 130 (2003) |
| 2002 | A new method for the estimation of the normal boiling point of non-electrolyte organic compounds | Cordes W., Rarey J. | Journal | Fluid Phase Equilib., 201, 19, 409 433 (2002) |
| 1999 | Improvement of the Srk Equation of State for Representing Volumetric Properties Fluids Using Dortmund Data Bank | Wang L.-S., Gmehling J. | Journal | Chem.Eng.Sci., 54, 10, 3885 3892 (1999) |
| 1996 | Auswahl von Daten und Berechnungsmethoden fuer Reinstoffe und Gemische mit Hilfe eines heuristisch-numerischen Beratungssystems | Schembecker G., Simmrock K.H., Von Trotha T., Hradetzky G., Jung S., Lempe D.A., Gmehling J., Sass R., Westhaus U. | Journal | Chem.Ing.Tech., 68, 10, 1307 1311 (1996) |
| 1995 | Entwicklung von Modellen und Korrelationen zur Beschreibung von Reinstoffeigenschaften | Rarey J., Cordes W., Neumann S., Kraehenbuehl M.A., Gmehling J. | Journal | Chem.Ing.Tech., 67, 7, 907 912 (1995) |
| 1994 | Zwischenbericht zum Vorhaben "Aufbau einer Datenfaktenbank Reinstoffdaten" (Einzelplan 30, Kapitel 3004, Titel 68560, Haushaltsjahr 1993) (Foerderkennzeichen 08 G35 26 8) | Gmehling J. | Reports | Report, 141, 5, 1 7 (1994) |
Selected Scientific Papers (Experimental Data)
| 2006 | P rhoTx Measurements for (1,1,1,2-Tetrafluoroethane + Triethylene Glycol Dimethyl Ether) at High Haloalkane Content | Marchi P., Scalabrin G., Ihmels E.C., Fischer K., Gmehling J. | Journal | J.Chem.Eng.Data, 51, 3, 992 996 (2006) |
| 2005 | Excess Molar Volumes and Viscosity Deviations for the Ternary System N,N-Dimethylformamide + N-Methylformamide + Water and the Binary Subsystems at 298.15 K | Han K.-J., Oh J.-H., Park S.-J., Gmehling J. | Journal | J.Chem.Eng.Data, 50, 6, 1951 1955 (2005) |
| 2005 | (p, rho, T) Properties and Apparent Molar Volumes V phi of ZnBr2 in Methanol at T = (298.15 to 398.15) K and Pressures up to p = 40 MPa | Ihmels E.C., Safarov J., Hassel E., Gmehling J. | Journal | J.Chem.Thermodyn., 37, 12, 1318 1326 (2005) |
| 2005 | Thermodynamic Properties of the Butenes: Part I. Experimental Densities, Vapor Pressures, and Critical Points | Ihmels E.C., Fischer K., Gmehling J. | Journal | Fluid Phase Equilib., 228-229, 1, 155 171 (2005) |
| 2003 | Experimental Determination and Correlation of Liquid Density Data of Electrolyte Mixtures Containing Water or Methanol | Kiepe J., de Araujo Rodrigues A.K., Horstmann S., Gmehling J. | Journal | Ind.Eng.Chem.Res., 42, 9, 2022 2029 (2003) |
| 2002 | Compressed Liquid Densities and Excess Volumes for the Binary Systems Carbon Dioxide + 1-Propanol and Carbon Dioxide + 2-Propanol Using a Vibrating Tube Densimeter up to 25 MPa | Zuniga-Moreno A., Galicia-Luna L.A., Horstmann S., Ihmels C., Gmehling J. | Journal | J.Chem.Eng.Data, 47, 6, 1418 1424 (2002) |
| 2002 | Densities of Sulphur Hexafluoride and Dinitrogen Monoxide over a Wide Temperature and Pressure Range in the Sub- and Supercritical States | Ihmels E.C., Gmehling J. | Journal | Int.J.Thermophys., 23, 3, 709 743 (2002) |
| 2002 | Liquid Densities and Excess Volumes of Diisopropyl Ether (DIPE) + 1-Butanol Mixtures from 273 to 473 K an Pressures up to 35 MPa | Ihmels E.C., Gmehling J. | Journal | J.Chem.Eng.Data, 47, 5, 1314 1319 (2002) |
| 2002 | Liquid Densities of gamma-Butyrolactone and N-Methyl-2-pyrrolidone from 273 to 473 K and at Pressures uo tp 40 MPa | Ihmels C., Gmehling J. | Journal | J.Chem.Eng.Data, 47, 6, 1547 1552 (2002) |
| 2002 | Compressed Liquid and Supercritical Denisties of 1,1,1,2,3,3,3-Heptafluoropropane (R227ea) | Ihmels E.C., Horstmann S., Fischer K., Scalabrin G., Gmehling J. | Journal | Int.J.Thermophys., 23, 6, 1571 1585 (2002) |
| 2002 | Compressed Liquid Densities of Methyl tert-Butyl Ether (MTBE), Ethyl tert-Butyl Ether (ETBE), and Diisopropyl Ether (DIPE) | Ihmels E.C., Gmehling J. | Journal | J.Chem.Eng.Data, 47, 5, 1307 1313 (2002) |
| 2001 | Measurement of Heat Capacities for 12 Organic Substances by Tian-Calvet Calorimetry | Becker L., Gmehling J. | Journal | J.Chem.Eng.Data, 46, 6, 1638 1642 (2001) |
| 2001 | Densities of Toluene, Carbon Dioxide, Carbonyl Sulfide, and Hydrogen Sulfide over a Wide Temperature and Pressure Range in the Sub- and Supercritical State | Ihmels E.C., Gmehling J. | Journal | Ind.Eng.Chem.Res., 40, 20, 4470 4477 (2001) |
| 2001 | Vapor Pressure, Vapor-Liquid Equilibrium, and Excess Enthalpy Data for Compounds and Binary Subsystems of the Chlorohydrin Process for Propylene Oxide Production | Horstmann S., Gardeler H., Fischer K., Koester F., Gmehling J. | Journal | J.Chem.Eng.Data, 46, 2, 337 345 (2001) |
| 2000 | Measurement of Heat Capacities for Nine Organic Substances by Tian-Calvet Calorimetry | Becker L., Aufderhaar O., Gmehling J. | Journal | J.Chem.Eng.Data, 45, 4, 661 664 (2000) |
| 1999 | Vapor-Liquid Equilibria and Vapor Pressure Data for the Systems Ethyl tert-Butyl Ether + Ethanol and Ethyl tert-Butyl Ether and Water | Rarey J., Horstmann S., Gmehling J. | Journal | J.Chem.Eng.Data, 44, 3, 532 538 (1999) |
| 1995 | Vapor Pressures of 2-Methyl-1-Butanol and 3-Methyl-1-Butanol | Kraehenbuehl M.A., Gmehling J. | Journal | Braz.J.Chem.Eng., 12, 4, 228 234 (1995) |
| 1994 | Vapor Pressures of Methyl tert-Butyl Ether, Ethyl tert-Butyl Ether, Isopropyl tert-Butyl Ether, tert-Amyl Methyl Ether, and tert-Amyl Ethyl Ether | Kraehenbuehl M.A., Gmehling J. | Journal | J.Chem.Eng.Data, 39, 4, 759 762 (1994) |
| 1993 | Vapour Pressure of Ethyl tert-Butyl Ether | Rarey J. | internal report | Private Communication, 6, 3, 1 2 (1993) |
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