The Dortmund Data Bank: A computerized system for retrieval, correlation, and prediction of thermodynamic properties of mixtures

The Dortmund Data Bank (DDB) was started in 1973 with the intention to employ the vast store of vapor-liquid equilibrium (VLE) data from the literature for the development of models for the prediction of VLE. From the beginning, the structure of the DDB has been organized in such a way that it was possible to take advantage of the full potential of electronic computers. With the experience gained in fitting and processing VLE data, we extended the DDB system to other types of mixture properties, i.e., liquid-liquid equilibria (LLE), gas solubilities (GLE), activity coefficients at infinite dilution γ∞, heats of mixing (hE), and excess heat capacities. Besides the files for mixture properties, the DDB contains pure-component data and program packages for various applications. New experimental data are checked for consistency before they are stored. For data retrieval user-specified search masks can be used. The data files are available via an online data service and through the Dechema Chemistry Data Series. For the purpose of data correlation and model testing, parameter fitting is performed with an optimization routine (Nelder-Mead). In the past years the DDB system has been successfully employed for the development of prediction methods for VLE, LLE, GLE, γ∞, and hE (UNIFAC, mod. UNIFAC, etc.).

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