Experimental data regression tool

DPP is an advanced tool for the regression of experimental data, developed and maintained by DECHEMA. It allows the user to convert raw experimental data (discrete measured data) to the data required by models used in simulation.

Main features

Selection and graphical display of data sets

Regression of model parameters

Large choice of optimization algorithms

The Data Preparation Package (DPP) is a software package for the regression of thermophysical property models. Using a plugin interface any kind of thermodynamic model could be used for the calculation of thermophysical properties.

ProSim has a partnership agreement with the DECHEMA for the distribution of DPP. For additional information on DPP, do not hesitate to contact us.





experimental data regresssion - thermodynamic calculation

Calculations of parameters that simulator models use are executed from external sources data. Acquisition of these data is made through a neutral file interface.

Given that the parameters must be identified with the models in which they will be used, DPP does not include any thermodynamic model. The software calls the models provided by external thermodynamic servers (Simulis thermodynamics, Aspen Properties, IK-CAPE thermodynamics…), through its thermodynamic interface.

In addition to the selection and the graphical visualization of experimental data sets, DPP allows the user to regress models parameters. Calculations are ran with the optimizer of DPP and exported in order to be used in external simulators (ProSimPlus, AspenPlus, ProII…).


The optimizer: DPP’s core element

The power of DPP’s optimizer allows the user to regress different type of data simultaneously (VLE + LLE + HE + Azeotropes for example) with to possibly weighting certain data and using several error functions.
A large choice of optimization algorithms (Simplex Nelder-Mead), Powel, Fletcher-Reeves, Broyden-Flechter-Goldfarb-Shanno, Gauss-Newton modified) enables an accurate adaptation of the system to the problem to be resolved.

Simulis Thermodynamics and DPP interfaced

The coupling of the Data Preparation Package and Simulis Thermodynamics provides engineers with a convenient and flexible environment to make the most of the DETHERM database.
DPP is designed to work with generic thermodynamics packages via an open interface and does not have any in-built thermodynamic package. With this new development, the user will be able to use the models from Simulis Thermodynamics seamlessly.

The user will find his workflow significantly improved.

With “traditional” thermodynamic packages, the user first needs to select the components and the models, save the problem in a specific file, import the problem in Data Preparation Package to run optimization and regression and then export the results in another file which format depends on the simulator used in exploitation of results.


thermodynamic database Important limits:
– The work achieved can only be used within the packages from X Inc. company.
– The interface must be updated for each release of X Inc. company’s package (several interfaces must be maintained).


As Simulis Thermodynamics is embedded, he now remains within the DPP environment from the selection of the components to the complete identification of the model. From the results provided by Data Preparation Package, the engineer can create CAPE-OPEN “Property Packages” that includes all thermodynamic elements required (pure components properties, models, interaction coefficients…).


detherm database - thermodynamic calculation

These Property Packages can be used in any third party CAPE-OPEN compliant modeling environment such as AspenPlus, HTRI, gPROMS for further calculations. They can also be used through Simulis Thermodynamics in MS Excel, MATLAB or any software which does not include rigorous thermodynamic calculation routines. Even though engineers work on different modeling tools, the Property package ensures that they use consistent data.