Modelling of microscale rheology
The overall aims of WP1 are to develop a suite of multi-scale simulation techniques linking the micro-structure of complex fluids to their rheological behaviour in industrial scale processing.
The principal methods employed will be Computational Fluid Dynamics (CFD) and Dissipative Particle Dynamics (DPD). We will develop a series of continuum based approaches to describe laminar, transitional or turbulent flows in industrial equipment. These techniques will then be used to develop scale-up and scale-down rules for materials processing.
- Population Balance Model
- Energy Transport Model
- Viscoelastic CFD model
- Validation of DPD models
- Development of viscoelastic DPD model
- Quantify micelles growth, scission/recombination, surfactant intermicellar rates, branch-point formation free energy and mobility for the basic fluid and multicomponent mixtures
Dissipative Particle Dynamics simulation of dissolution of lamellar phases in water: Top: surfactant dissolving to worm like micelles with a high viscosity; Middle: surfactant plus alcohol dissolving to spherical micelles with a low viscosity; Bottom: surfactant plus oil not dissolving in the time frame.