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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.

WP1.1 Development of Continuum approaches (Prosser, Fonte, Cates, Panesar, Watson, Kowalski)

  • Population Balance Model
  • Energy Transport Model
  • Viscoelastic CFD model

WP1.2 DPD Particulate based modelling (Carbone, Masters, Rodgers, Warren)

  • Validation of DPD models
  • Development of viscoelastic DPD model

WP1.3 Integrating DPD with CFD via constitutive equations (Carbone, Masters, Cates, Warren)

  • Quantify micelles growth, scission/recombination, surfactant intermicellar rates, branch-point formation free energy and mobility for the basic fluid and multicomponent mixtures