There are two tasks that are being researched as part of WP2
Task 2.1 Generalised colloidal hydrodynamics model incorporating arbitrary interactions and drag
We will apply our understanding for film hydrodynamics and recently developed models incorporating all postulated modes of particle transport to predict the full evolution of film morphology and composition. The colloidal hydrodynamics will comprise hindered Stokes flow with arbitrary interparticle interactions. Simple analytic solutions will be available in some cases although in general numerical solutions will be obtained using conventional commercial solvers. The predicted behaviour and film structures will be tested against idealised experimental observations (in-situ and dried film) conducted in WP4 and the generalised results will be fed-back and coupled with the ML algorithms (WP1) to direct more complex experimental geometries and flows. This information will also help direct metrology data acquisition set-ups (WP3).
Task 2.2 Incorporation of non-spherical particles via modification of sedimentation coefficients
For less idealised polydisperse, non-spherical systems (i.e. as found in pseudo commercial inks and commercial inks) we will incorporate computational methods such as discrete element method (DEM), coupled with computational fluid dynamics (CFD). DEM is a computational modelling technique, which uses known interparticle interactions to simulate particle positions, velocities and stresses at a particle scale; data which is very difficult to observe and measure experimentally. This technique is frequently used in complementary manufacturing areas (pharmaceuticals, agri-chemicals and consumer products), and coupled with CFD presents an excellent opportunity to leverage the advanced technology data to this field. Guided by small scale DEM/CFD simulations, transport equations will be modified to produce outputs for experimental guidance via ML. This work will be complimented with experimental investigation (WP4) using simple, bespoke non-ideal inks which demonstrate the key effects. We have published track record in using DEM to further system understanding, and this research presents and excellent opportunity to leverage this knowledge into the film manufacturing industrial sphere