Combining Machine Learning with Physical Knowledge in Thermodynamic Modeling of Fluid Mixtures

Fabian Jirasek and Hans Hasse
Ann Rev of Chem and Bio Eng, Vol 14 (June 2023)
AI/ML Published: (Mar/2023)

Thermophysical properties of fluid mixtures are important in many fields of science and engineering. However, experimental data are scarce in this field, so prediction methods are vital. Different types of physical prediction methods are available, ranging from molecular models over equations of state to models of excess properties. These well-established methods are currently being complemented by new methods from the field of machine learning (ML). This review focuses on the rapidly developing interface between these two approaches and gives a structured overview of how physical modeling and ML can be combined to yield hybrid models. We illustrate the different options with examples from recent research and give an outlook on future developments.