Mechanistic models have provided great outcomes for chemical processes development and optimization in the last decades. However, their underlying equations sometimes appear as cryptic for non-initiated people, which limits their acceptance and use. In this webinar, we propose to demystify the development of such models using enzymatic reactions as an illustrative example.
Starting from first principles such as mass and atoms conservation, we progressively include thermodynamics and hydrodynamics behaviors in the live-built models.
With these simple models, we show how one can:
- minimize the number of experiments required for the purpose of process development (DOE),
- bring process understanding,
- predict the impact of process operating conditions (temperature, enzyme concentration…),
- extrapolate from batch to fed batch or continuous reactors,
- optimize process performances.
The advantages and drawbacks of statistical and mechanistic models are also discussed, and recommendations are made. Finally, we open the door for advanced mechanistic modelling including, for example, mass transfer phenomena, non-ideal mixing, etc.
#chromatography #mechanistic #modeling #software #predictive #simulation #purification