DDBSP: Mixture Prediction

Overview

The predictive methods UNIFAC, mod. UNIFAC, ASOG, PSRK, COSMO-SAC, COSMO-RS(Ol)  as well as calculation via Aspen Plus and ProII are provided to estimate data and binary parameters. (includes s-profiles for 25 components and GC2GE).

The Add-On integrates data prediction into

  • many of the different query result dialogs for DDB mixture data
  • simultaneous mixture data regression Recval
  • process synthesis tools
  • ...

For all models, the most recent published parameters are included. Nevertheless it is advisable to join the UNIFAC Consortium to gain access to the largely extended UNIFAC, mod. UNIFAC and PSRK parameters that are only available to Consortium members.

The UNIFAC consortium delivers the required customization files to upgrade the methods in the DDBSP Prediction Add-On, in Aspen Plus, Chemcad, Pro/II (Sim4ME).

Using the Mixture Prediction Add-On, data sets of different type can also be predicted instead of loaded from the data bank. The following figure shows an example of the data prediction dialog that serves as an alternative to a DDB query in Dortmund Data Bank :

In the query result dialog of the DDB, several or all datasets can be selected and the data can be compared to the results of the predictive methods for verification. This is shown below for the case of VLE data:

Downloads

2009   DDBSP - Info: Water Solubility of Hydrocarbons with mod. UNIFAC      Info (PDF)

Scientific Papers

2009   Recommended NRTL Model Parameters by Simultaneous Correlation of VLE, Infinite Dilution Activity Coefficients and Excess Enthalpy Data   Tochigi K., Rarey J., Gmehling J.   Journal   J.Chem.Eng.Japan, 42, 6, 376 380 (2009)

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