Software Tools

Since the start of the DDB in 1973, a large number of software tools have been developed to search, retrieve, export, visualize and regress the data. Later these programs were extended to cover further applications like e.g. process synthesis. At the same time, data and parameter communication with other software products was enhanced. Today it is even possible to use the thermodynamic calculation engines of Aspen Plus®, UniSim Design® , Simulis Thermodynamics® or Pro/II® from inside the DDB.

All programs have been integrated under the MS-Windows graphical user interface and can be easily used even without studying the manuals.

The following table compiles most of the major parts. Detailed information can be found on the separate linked pages.

DDB Access Package

This essential component of the Dortmund Data Bank provides data storage, data input editors, retrieval, graphical representation, import/export for all data banks including complete data directory and demo versions of all non-licensed data banks.... <more>

Pure Property Regression Add-On

The regression add-on for pure component properties allows for extended parameter fitting, calculation and graphical representation options for various correlation equations for the different pure component properties that allow customization of simulation software for a better description of your specific mixtures.... <more>

Mixture Prediction Add-On

The predictive methods UNIFAC, mod. UNIFAC, PSRK, VTPR, COSMO-SAC, COSMO-RS(Ol)  as well as calculation via Aspen Plus® , ProII®[, UniSim® and Simulis Thermodynamics® are provided to estimate data and binary parameters. Third-Party software is not part of the Mixture Prediction Add-On. Included are s-profiles for 25 components and GC2GE).... <more>

Prediction Parameters Add-On

In order to provide reliable model parameters for the calculation of pure component and mixture properties, DDBST is for some time engaged in regression of the different data from the DDB. Currently numerous parameter sets are available.... <more>

Simultaneous Mixture Regression Add-On

These programs are used for the rapid simultaneous regression of any number of binary phase equilibrium and excess property data sets using gE-models.... <more>

Process Synthesis Add-On

The Process Synthesis Add-On contains several powerful tools for process development including prediction of azeotropic points in multicomponent mixtures, construction of residual and boundary curves for ordinary distillation, construction of contour lines and entrainer selection for extractive and azeotropic distillation and extraction....<more>

Predict Pure - Property Estimation

The program package Predict Pure was developed for the estimation of pure component properties using the most sophisticated methods. It incorporates a large number of different group contribution methods for a multitude of different properties.... <more>


Predict allows a multitude of multicomponent mixture calculations using the PSRK and VTPR group contribution equations of state and the group contribution methods UNIFAC, Mod. UNIFAC(Do), NIST-mod. UNIFAC and Mod. UNIFAC (Ly). Calculations with EOS mixing rules are also possible. <more>

Vapor Phase Adsorption Package

This package contains both the DDB data bank for vapor phase adsorption data (DDB-ADS) as well as suitable software for storage, visualization, correlation, prediction, ... of both single and multi-component adsorption.... <more>


CalculateX3 is a program for calculating and displaying VLE, SLE, hE and ɣ∞ ,... of ternary systems.... <more>

Model Parameter Estimator

The Model Parameter Estimator allows the automatic generation of constant or temperature dependent gE-model parameters from predictive methods. It is included in the Mixture Prediction Add-On but can also be licensed as stand-alone software. <more>