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Software Tools Data Banks

Development of Software Tools and Data Banks (DDB)
for the Design of Thermal Separation Processes

The access to a large and verified computerized factual data base is of great importance for the development of reliable methods for the prediction of phase equilibria covering a large range of applicability. This was the reason to start work on the Dortmund Data Bank ( DDB ) in 1973 at the University of Dortmund. This work was later continued at the University of Oldenburg. Since 1989 the professional update of the various parts of the DDB is guaranteed by and the most up to date version is available to the research group at university. Today this data bank contains besides the pure component properties for a large number of compounds nearly all worldwide accessible data on vapor - liquid equilibria of electrolyte and non - electrolyte systems, heats of mixing, liquid - liquid equilibria, gas solubilities, azeotropic data, solid - liquid equilibria, activity coefficients at infinite dilution, excess volumes and excess heat capacities. In addition work started on building up a data bank for experimental data on pure components and vapor - liquid equilibria of low boiling substances. A great part of the evaluated data have been published in unified form in the DECHEMA Chemistry Data Series and VCH and is available online (STN), in form of inhouse versions via FIZ Chemie, Berlin or as an extension to the ASPEN + - simulator via Internet.

The following table shows the current (March 2011) status of the DDB.Given is the number of isothermal or isobaric data sets or values respectivly. Pure component and mixture properties are taken from  50961 references.  Experimental data are available for 33259 compounds.

   Data Bank

   Short Term

   Number of Data Sets


Pure component properties
PCP
205833
Vapor-Liquid Equilibria
   a) Tb of all components > 0 °C VLE 31501
   b) Tb of at least a single component < 0 °C HPV 31367

   c) Electrolyte systems ELE 8441

Activity Coefficients at Infinite Dilution
   a) Pure solvents ACT 60493
values
   b) Mixed solvents ACM 1424
Azeotropic Data  AZD 52696
values
Liquid-Liquid Equilibria LLE 22513

Solid-Liquid Equilibria SLE 37829

Salt Solubilities ESLE 30908

Gas Solubilities GLE 19671
Gas Solubilities - Electrolyte Systems EGLE 1643
Critical Data of Mixtures CRI 2443

Heats of Mixing HE 20502

Heat Capacities of Mixtures and Excess Heat Capacities CPE 3677
Mixture Densities and Excess Volumes VE 47256

Adsorption Equilibria AAE 3852
Partition Coefficients (Octanol-Water) KOW 10726

Polymer Data Base POLY 17442

Together with the integrated program package (DDBSP) for:

  • the prediction of pure component properties
  • the simultaneous fitting of reliable model parameters
  • the prediction of phase equilibria for multicomponent systems
  • the selection of suitable solvents for thermal separation processes
  • the analysis of the behavior (azeotropic data, LLE) of multicomponent systems
  • the influence of the real behavior (Kϒ ,Kφ) on the chemical equilibrium, selection of best "solvent" for the chemical reaction

The Dortmund Data Bank is the ideal tool for synthesis and design of separation processes.

The data bank in connection with the package was extensively used for the development of various group contribution methods (UNIFAC , ASOG, mod. UNIFAC , PSRK ,VTPR, LIQUAC , LIFAC) which are used world-wide in the different process simulators. New developments include for example the selection of solvents for azeotropic and extractive distillation by DDB-access and via thermodynamic models. 


A detailed overview on the DDB contents is provided by the DDB Data Directory.

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