Importance of First-Principles in Model-Based Scale-Up
Abstract
The energy transition demands improvement to existing and development of new technologies. Both require extrapolation, either through optimization or scale-up. AI is becoming more prevalent and will play an important role in chemical engineering, but the generally poor extrapolation properties and general lack of data in the case of new technologies make a first-principles model-based approach critical for the energy transition. Two case studies are presented illustrating the importance of first-principles modeling. Our modular, ground-up, fundamentals-based model approach allows us to do targeted experiments at lab or pilot scales to reduce the cost compared to a purely experiment-based scale-up approach.
Fields of Study & Subjects
Model-Driven Software Engineering Techniques
Modeling and Simulation Systems
Advanced Software Engineering Methodologies
Publication details
- Journal / source
- Industrial & Engineering Chemistry Research
- Publisher
- American Chemical Society (ACS)
- Volume
- 65
- Issue
- 10
- Pages
- 5563–5572
- Publication date
- 5 March 2026
- Language
- EN