Abstract
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.
| Original language | English |
|---|---|
| Journal | Computers and Chemical Engineering |
| Volume | 83 |
| Pages (from-to) | 232-247 |
| ISSN | 0098-1354 |
| DOIs | |
| Publication status | Published - 2015 |
| Event | 24th European Symposium on Computer Aided Process Engineering - Budapest, Hungary Duration: 15 Jun 2014 → 18 Jun 2014 |
Conference
| Conference | 24th European Symposium on Computer Aided Process Engineering |
|---|---|
| Country/Territory | Hungary |
| City | Budapest |
| Period | 15/06/2014 → 18/06/2014 |
Keywords
- Catalytic fixed bed reactor
- Computer-aided modelling framework
- Modelling template
- Oxidation of unsaturated fatty acids
- Chemical reactors
- Fatty acids
- Unsaturated fatty acids
- Catalytic fixed bed reactors
- Computer-aided modelling
- Enabling technologies
- Engineering applications
- Model decomposition
- Multi-scale modelling
- Template-based approaches
- User friendly interface
- Catalytic oxidation