Predicting Transport Properties by Entropy Scaling

• Applicant: Professor Dr.-Ing. Simon Stephan
• Subject Area: Chemical and Thermal Process Engineering ; Technical Thermodynamics
• Term: since 2024
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 548115878

The modeling and prediction of transport properties of fluids is of fundamental importance for many technical applications. In recent years, entropy scaling (ES) combined with equations of state (EOS) has emerged as a powerful approach for modeling transport properties based on a physical foundation. Yet, this foundation still has some deficiencies. This proposal aims at extending the scope and accuracy of ES by solving some severe deficiencies and incorporating novel features. Limitations of presently available ES models are regarding the modeling of mixtures as well as for capturing several significant physical effects. The latter is crucial such that the overall model has strong predictive capabilities and is applicable also in cases, where only very little or no experimental data is available. In this work, ES is extended such that (i) the thermal conductivity ES model is coupled with a quantum mechanical model for the energy storage properties of individual molecules, (ii) mixture diffusion coefficients can be described, (iii) a critical enhancement model is to be used consistently for the EOS and the ES model part, and (iv) the ES model parameters are to be related to the molecular parameters of the EOS. These objectives are closely related and coupled and aim at increasing the predictive capabilities and robustness of ES.

• DFG Programme: Research Grants