Marabu carbon production

Chemical Engineering Multi-scale simulation & theory

We develop, apply and analyse models for the properties of materials and behaviour of processes in order to aid in the design and optimisation of industrial processes. These models, which can cover a wide range of time and length scales, from molecular to colloidal to process scales and beyond, offer a deeper understanding of systems to allow their design and control.

Areas of interest

Here are some of the areas of interest our researchers specialise in:

  • equilibrium and non-equilibrium molecular dynamics
  • process modelling
  • materials modelling, including solution thermodynamics
  • chemical kinetics
  • Advanced Monte Carlo simulation

Example research projects

  • Dr Karen Johnston is simulating the behaviour of ferroelectric polymer thin films for use in electronic devices
  • Dr Miguel Jorge is examining the control of nanoparticle assembly and orientation at liquid interfaces for catalysis applications
  • Dr Paul Mulheran is studying coagulation-fragmentation phenomena in protein aggregation and nanostructure growth