Molecular detail in fluid simulations: Density Functional Theory within component and momentum balances (A01)

• Subject Area: Technical Thermodynamics
• Term: since 2018
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 327154368

The hydrodynamic density functional theory (HDFT) links a predictive molecular theory for interfacial properties with continuum scale balance equations. This project extends HDFT to non-isothermal systems by incorporating an energy balance in addition to mass and momentum balances. The extended model enables predictive, thermodynamically consistent simulations of temperature, velocity, and density fields in interfacial processes such as evaporation and salt precipitation. The model is applied to coupled mass and heat transport processes, including evaporation and crystallization in porous media.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 1313: Interface-Driven Multi-Field Processes in Porous Media - Flow, Transport and Deformation -
• Applicant Institution: Universität Stuttgart
• Project Head: Professor Dr.-Ing. Joachim Groß