Wallek Group

Bridging digitalization and process engineering to boost efficiency and optimization

By integrating advanced digitalization methods from the IT sector into process engineering, we enable holistic modeling of industrial energy systems. These models link individual plants into comprehensive production and energy systems, allowing for real-time optimization of energy efficiency and productivity.

Key research areas include the interconnection of simulation programs, holistic plant optimization, and discrete modeling for thermodynamic analysis, where molecular arrangements are directly incorporated into computational models. Additionally, Monte Carlo simulations are applied to phase equilibrium calculations and catalytic reactions in proton exchange membrane fuel cells, further enhancing predictive capabilities in process engineering.

Responsible Person
Assoc.Prof. Thomas Wallek
Head of Working Group

Wallek Group

Niklas Mayr, Michael Haring and Thomas Wallek Continuous fractional component Gibbs ensemble Monte Carlo
Maximilian Neubauer, Maximilian Steiner, Max Vogi, Georg Rudelstorfer, Thomas Wallek and Susanne Lux Continuous separation and purification of glycerol distillation residues in the sense of circular economy
Christoph Mayer and Thomas Wallek Discrete Modeling Approach for Cluster-Based Excess Gibbs-Energy of Molecular Liquids
Maximilian Neubauer, Georg Lenk, Nikolai Schubert, Susanne Lux and Thomas Wallek Surrogates for Liquid–Liquid Extraction
Niklas Mayr, Michael Haring and Thomas Wallek Auto-calibration strategy for the equilibration phase of Gibbs ensemble Monte Carlo simulations