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The Dortmund Data Bank - Experience the Power of Intelligent Thermodynamics

The Dortmund Data Bank was started in 1973 at the University of Dortmund with the intention of utilizing the vast amount of published VLE data for the development of predictive methods for vapor-liquid equilibria. Today the Dortmund Data Bank represents the largest computerized data bank for thermodynamic pure component and mixture properties worldwide including data recieved by companies in the former GDR and from existing chemical and engineering companies.

Pure Component Properties
Following the great success of the Dortmund Data Bank for mixture data and the models developed on the basis of these data (UNIFAC, mod. UNIFAC, PSRK, LIQUAC), the development of a pure component database (DDB-PURE) was undertaken starting in 1992. The DDB Pure Data Bank supplies 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 evaluated for inclusion, especially with respect to deposited documents. Already at the current state, the amount of data in DDB Pure Data Bank greatly exceeds the contents of competing data banks, which makes the Dortmund Data Bank the worlds largest source for thermo physical data of pure components and mixtures. The Dortmnund Data Bank Software Package links with the worlds leading process simulators and is bundled with EPCON Internationals SYSTEM 7 Process Explorer next generation process simulator.

Thermophysical Property Estimation
The ARTIST software was developed for the estimation of pure component properties using the molecular structure. It incorporates a large number of different group contribution methods for a multitude of different properties. Using a special coding scheme for molecular structures, ARTIST is able to take into account the chemical neighborhood of the individual groups thus implementing chemical know-how. Special features of some group contribution methods like topological
indices and second order group corrections are automatically taken into account. Thus after entering the structure or retrieving it from the large data base included, the tedious task of property estimation can be performed with a single click. To ensure the correctness of the algorithm, the program has already been tested for years during the development of the well known UNIFAC and mod. UNIFAC methods. It has also proven very helpful for years during the compilation of the Dortmund Data Bank (DDB) pure component data bank. Thousands of data points were automatically estimated and compared to experimental data from literature thus eliminating errors in data input and/or the estimation routines. Structures can be stored in 3D and rotated on the screen. To find components with a similar structural element, a powerful substructure search has been implemented. ARTIST utilizes a user-friendly Windows graphical user interface. Results can be copied to the clipboard or automatically sent to Microsoft Excel for further processing. Whether you are dealing with process simulation, risk assessment, environmental protection or combinatorial chemistry, ARTIST provides the worlds leading property estimation capabilities in an automated fashion.

DDB Mixture Properties
The Dortmund Data Bank with the stored pure component properties and the comprehensive mixture data is the ideal tool for fitting reliable model parameters for gE-models or equations of state, for the development of group contribution methods and for fitting the required interaction parameters for process simulation. It is especially helpful for the critical examination of model parameters prior to process simulation. For the development of reliable group contribution methods with a broad range of applicability nearly all available information covering a large temperature and the whole concentration range for a variety of compounds very different in size can be used. Furthermore nearly no input for the selection of the desired systems, the consistency tests and the parameter fit is needed since all the required information (vapor pressure data, critical data, structural information,...) for the different programs is automatically called from the DDB.

Process Synthesis
The Process Synthesis software was developed to employ the large number of phase equilibrium data stored in the Dortmund Data Bank for the selection of suitable solvents for azeotropic or extractive distillation. It is also possible to employ predictive methods like UNIFAC when factual data from the DDB is not available. The Process Synthesis software realizes DDBSTs long-term vision of providing intelligent thermodynamics to synthesize new and better separation processes based on the factual Dortmund Data Bank. Predict homogeneous and heterogeneous azeotropic compositions in multicomponent mixtures, calculate contour lines, and calculate residual curves in mixtures with 2D diagrams. Automatically scan for entrainers for extractive or heteroazeotropic distillation or extraction using the Dortmund Data Bank (DDB) or available thermodynamic models like UNIFAC, mod. UNIFAC, etc. Access to the DDB Data Bank for azeotropic data and activity coefficients at infinite dilution is also provided. Residual and boundary curves can be constructed and displayed for inert or reactive systems. Experience the power of intelligent thermodynamics using the Dortmund Data Bank Process Synthesis software to reduce energy costs and minimize environmental impacts.

See More: The Dortmund Data Bank (Requist)