Modelling and Optimisation of Distributed-Parameter Batch and Semi-batch Reactor Systems

Macro-mixing effects in batch and semi-batch reactors are investigated by constructing 3-dimensional models using a network of zones (NoZ) discretisation. System dynamics including volume changes due to continuous feeding are successfully predicted. Detailed flow fields are calculated from phenomenological correlations which include parameters such as reactor size and configuration, impeller type and speed and fluid physical properties. The Proper Orthogonal Decomposition method is subsequently applied to extract reduced models from the large-scale NoZ-based ones that can be used for computationally efficient design, optimisation and optimal control studies.