Computer-Aided Template for Model Reuse, Development and Maintenance

A template-based approach for model development is presented in this work. Based on a model decomposition technique, the computer-aided template concept has been developed. This concept is implemented as a software tool , which provides a user-friendly interface for following the workflow steps, as well as the guidance through the steps providing additional information and comments. The application of the tool is highlighted with a multiscale modeling case study involving a catalytic membrane fixed bed reactor. The modeling templates for reactor as well as particle scales have been developed . For the particle scale, two alternative mechanisms to describe the diffusion inside catalyst pellets are available: a Fickian diffusion model and a dusty gas model . Moreover, the effects of isothermal and non-isothermal catalyst are also considered during the model development process. Thereby, any number of problem-specific models can be generated through the template and maintained for the future reuse .