Computer-aided modelling template: Concept and application

• Novel approach to the model development, that is, template-models.
• Modelling framework to cover the most crucial aspects of model development.
• Application of the template-models to different types systems.
• Software implementation of the approach and integration with other tools.
• Modelling knowledge representation system for easy maintenance of the models.

Modelling is an important enabling technology in modern chemical engineering applications. A template-based approach is presented in this work to facilitate the construction and documentation of the models and enable their maintenance for reuse in a wider application range. Based on a model decomposition technique which identifies generic steps and workflow involved, 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 and guidance through the steps providing additional information and comments on model construction, storage and future use/reuse. The application of the tool is highlighted with a multi-scale modelling case study involving a catalytic membrane fixed bed reactor and a two-phase system for oxidation of unsaturated acid with hydrogen peroxide. Both case studies reflect different aspects of template creation and use with respect to model development.