Computer-Aided Template for Model Reuse, Development and Maintenance

Abstract

Abstract 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 modelling case study involving a catalytic membrane fixed bed reactor. The modelling 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.