Modeling and Simulation
Research Area B includes developments of mathematical models and numerical simulation techniques that describe the interaction of wetting processes with momentum, heat and mass transport, using physic based approaches (Aim 2). These models and simulations are closely linked and validated with the generic experiments performed in Research Area A.
Once validated, these models and simulations are not subjected to the same parameter constraints as the generic experiments, e.g. with respect to resolution or parameter space; hence they contribute essential information to the overall understanding of the phenomena (Aim 1).
Over the duration of the CRC these models and techniques will undergo continual development and improvement (Aim 2). To facilitate the exchange between projects within the CRC, all models will be implemented on the common open-source software platform OpenFOAM.
In order to perform sensitivity analyses, parameter studies and targeted optimizations (Aim 4), automatic differentiation techniques and adjunct numerical solutions will used. This will lead to suggestions for improved designs and process control for specific applications, such as in printing or heat transfer devices. Throughout the future funding periods of the CRC the complexity of the fluids and surfaces being examined will increase.
To achieve the required accuracy and resolution in the simulations recently developed numerical discretization schemes for free boundary value problems in fluid mechanics will be explored. Model parameters that are not directly accessible (e.g. transport coefficients) and understanding of these transport coefficients at the molecular scale (Aim 1) will be obtained and analyzed using molecular dynamics (MD) simulations.