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THE DEVELOPMENT OF VALIDATED PREDICTIVE MODELS FOR OPTIMAL DESIGN OF MULTIPHASE CHEMICAL PROCESSES

Ziel

The project envisages the optimal design of multiphase processes. The objective is the development of computer simulation packages which allow detailed predictions on the preparation and behaviour of dispersions and chemical reactions in two phase systems. These processes play essential roles in the pharmaceutical, biotechnology, food, detergent, oil, chemical and polymer manufacturing industries.
A computational Fluid Dynamics code has been developed for gas-liquid and liquid-liquid dispersion processes as encountered in emulsification, chemical reactions, fermentations etc. A two-phase turbulence model has been implemented and extensively tested experimentally. In addition, verified physical models have been developed, which describe the evolution of droplet/bubble sizes as a consequence of break-up and coalescence processes. These models have been coupled to the two-phase turbulence model to obtain full coupling between the two phases. Finally two methods have been developed which allow a detailed calculation of a flow as generated by moving parts such as an impeller in a stirred tank. Implementation of all models into the commercial code STAR-CD allowed the successful evaluation of a number of industrial test cases in detail.
To arrive at predictive models three interrelated classes of studies will be performed.

Firstly, the detailed physics of the processes will be modelled at a microscopic level. For the emulsification process droplet/bubble break-up and droplet/bubble merging (coalescence) are the primary issues. Mass transfer of a component from a phase to the interface or from one phase to the other phase are fully taken into account. An extensive experimental programme is proposed to support the theoretical modelling.

Secondly, two phase turbulent flows in reactors will be modelled, taking into account reactor type, geometry, impeller type and rational speed. The studies comprise : the physics of two-phase turbulence, development of reliable and efficient mathematical algorithms and experimental verification of the turbulence modelling.

Thirdly, the two classes of models mentioned above will be combined to investigate the interaction of local hydrodynamics and microscopic processes. The procedures developed will be implemented in a flexible user-friendly computational package which can cope with a large variety of reactor geometries.

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Unilever Research Laboratories
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