BOARPET

Contact

Kaan Karacasulu

Name

Kaan Karacasulu

Scientific Staff

Phone

work
+49 241 80 94637

Email

E-Mail
 

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 have developed an interface of BOARPET as plugin to the well-known DECHEMA package DPP.

Moreover, we have extended the theory to

-Cubic equations of state: M.Glass, H. Djelassi, A. Mitsos. Parameter estimation for cubic equations of state models subject to sufficient criteria for thermodynamic stability. Chemical Engineering Science,192:981-992. 2018.

using also the criterion in M. Glass, A. Mitsos Thermodynamic analysis of formulations to discriminate multiple roots of cubic equations of state in process models. Computer & Chemical Engineering 106:407-420.2017

-Reactive and electrolyte systems: M. Glass, A. Mitsos. Parameter estimation in reactive systems subject to sufficient criteria for thermodynamic stability. Chemical Engineering Science. 2018.

We have a stand-alone version. If you are interested in using this software please feel free to contact us.