Dortmund database

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The Dortmund database ( DDB for short ) is a database of thermophysical and thermodynamic data on pure substances and mixtures of substances.

content

The Dortmund database contains

Thermal conductivity of water , data from the Dortmund database

A fairly new component is material data for polymers .

The DDB almost exclusively contains experimentally determined data that was published or made available by the original authors (so-called private communications or company data, where the publisher wishes to remain anonymous). The data in the DDB are fully referenced, i. This means that there is an indication of the source for all data records. This principle is not consistently followed in three cases: Azeotropic and zeotropic data were often derived from vapor-liquid equilibrium data using UNIQUAC or NRTL , so that this sub-database contains a considerable proportion of calculated values. Another exception is a series of material constants that have been transferred to a basic database as so-called recommended values for calculations. Strictly speaking, however, this basic database is not part of the DDB. The third exception is the database for model or equation parameters that are naturally calculated.

history

Work on the Dortmund database began in the 1970s at the University of Dortmund ( Ulfert Onken , Jürgen Gmehling , Wolfgang Arlt ) to create a database for the development of a prediction method for vapor-liquid equilibria of substance mixtures called UNIFAC (Universal Quasichemical Functional Group Activity Coefficients ; see also group contribution methods ).

The scope was later greatly expanded, also through public funding. This public funding has now expired and the further development has been transferred to the private company DDBST GmbH, which is a spin-off of the technical chemistry of the Carl von Ossietzky University of Oldenburg . Further contributions come from DECHEMA , FIZ CHEMIE Berlin, the Tallinn University of Technology and several other cooperation partners.

The Dortmund database is also used by an industrial consortium to further develop the UNIFAC, VTPR and PSRK models . The DDB is also now the basis for the development of some models for the estimation of pure substance data, here in particular normal boiling points, critical data, etc. a. m. Other developments concern the development of electrolyte models, which have also been created using DDB data.

Availability

The Dortmund database is distributed by DDBST GmbH and is also available, at least in part, via an Internet service from DECHEMA , here as part of the DETHERM database. Once a year, DECHEMA receives a data export from the DDB, which is imported into DETHERM.

Excerpts from the DDB have also been published as books. This is a series of multi-volume books in the DECHEMA Chemistry Data Series on vapor-liquid equilibria, enthalpies of mixing, liquid-liquid equilibria and activity coefficients, as well as a book on azeotropic and zeotropic mixtures.

See also

literature

  1. ↑ Nannoolal Y., Rarey J., Ramjugernath D., Cordes W., "Estimation of Pure Component Properties. Part 1. Estimation of the Normal Boiling Point of Non-Electrolyte Organic Compounds via Group Contributions and Group Interactions ", Fluid Phase Equilib., 226, 45-63, 2004
  2. ↑ Nannoolal Y., Rarey J., Ramjugernath J., "Estimation of pure component properties Part 2. Estimation of critical property data by group contribution", Fluid Phase Equilib., 252 (1-2), 1-27, 2007
  3. ↑ Polka H.-M., "Experimental determination and calculation of vapor-liquid equilibria for systems with strong electrolytes", doctoral thesis, Univ. Oldenburg, Ger., 1-144, 1993
  4. ↑ Gmehling J., Menke J., Krafczyk J., Fischer K., “Azeotropic Data”, 2004, Verlag Wiley-VCH

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