Molecular Systems Engineering
Molecular Thermodynamics describes and explains the material behavior of solids and fluids on the basis of the molecular structure of a system. This theory is, therefore, the foundation of the science of fluid behaviour and the design of molecular models for fluids, which is of increasing significance in many areas of applied natural sciences. Various gE- models as well as equations of state are applied for the prediction of phase equilibria and related properties. In particular, quantum mechanical methods are combined with statistical thermodynamics in an effort to set up predictive models for fluid behaviour.
|Analytical property prediction models for complex fluids|
|Multiscale Simulation of Microgel Structure|
|Quantum mechanical Calculation of ideal gas properties|