Current Research- Systematic Methods for Formulating Reduced Chemical Models within Chemical Engineering Applications

The project is concerned with development of systematic ways for reducing the chemical component of complex CFD models. Techniques, based on sensitivity analysis, for reduction of species and reactions, followed by lumping approaches for compressing the remaining species into a fewer number of variables. Recently parametrisation techniques such as repro modelling have been developed - the chemistry is represented as a system of polynomial functions rather than a differential rate equation. Speed-ups of a factor of 100 found in comparison with standard integration methods. Methods to be further developed in chemical engineering applications as part of an EPSRC project for the Chemistry/Chemical Engineering initiative.

Academic staff contact: Alison Tomlin