Bilevel Optimization Algorithm for Rigorous & Robust Parameter Estimation in Thermodynamics (BOARPET) is a software package for the estimation of parameters in excess Gibbs free energy models for nonideal interaction of chemical species. The parameter estimation is formulated as a bilevel optimization problem and is solved as a series of nonlinear programs. The subproblems are solved by third-party code.

BOARPET implements the methods published in:

We are currently extending the methodology of parameter estimation to more complex cases.
Together with industrial partners, we are developing BOARPET as stand-alone tool and plugin to existing thermodynamic tools.

An online-tutorial provided by DECHEMA can be found here.

If you are interested in using this software please feel free to contact us.