SPP 1155: Molecular Modelling in Chemical Process Engineering

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Up to now, predominantly phenomenological approaches are in use for modelling in chemical process engineering, whose potentialities meanwhile are fathomed out in many fields of applications. Contrary, molecular approaches offer new possibilities in chemical engineering whose potential has not been exploited yet. In order to penetrate chemical engineering practice primarily better quantitative models of intermolecular interactions and more efficient simulation algorithms have to be developed, which meet technological demands with a reasonable effort. The present Priority Programme persues these goals by projects in fields of research where conventional approaches fail or provide only dissatisfying results.Key aspects of activity will be:-- predictive thermophysical data;-- processes in metastable phases;-- processes at fluid-solid boundary layers;-- processes in porous media;-- membrane processes and materials.Cross linking of the priority fields of research is given by the subjects "Quantitative Models of Intermolecular Interactions" and "Engineering Design Equations from Molecular Considerations". To achieve the aims of the Priority Programme, a close interdisciplinary cooperation of engineers and application oriented scientists, especially from chemistry, exists.