(436a) Development of Bio-Based Processes: A Real Challenge

• Thermodynamics. For any process simulation, the thermodynamic model implementation is the keystone of a modeling close to reality. In the case of production of biosourced chemicals, many compounds are not present in the databases available in commercial process simulation software. It is therefore necessary to have, in these process development tools, predictive models that can work with little experimental information (group contribution models, QSPR methods, models based on quantum mechanics, etc.). The studied mixtures are also complex (including molecules with many functional groups, presence of oxygenated compounds...), the liquid phases are very often non-ideal, thus requiring specific models to represent the thermodynamic properties of the mixture. In order to tackle bio-based processes development, it is therefore necessary to have in the modeling tool a very complete thermodynamic calculation server, integrating the most recently developed models and offering the ability to easily implement users’ models. This is the case of the Simulis Thermodynamics software component, integrated in all ProSim software.
• Reactions. As in all processes, reactions are a key step in bio-based processes, which are characterized by very complex reaction patterns, with kinetic models that are often different and more varied than in the industries more traditionally using process simulation. The Simulis Reaction software component integrates a very rich library of kinetic models, while allowing the user to simply add new models.
• Process. Biosourced processes often integrate unit operations operating in both batch and continuous modes. For batch operations, the technology used is very important because the dynamic of the system is directly linked to this. The user must therefore describe their equipment with great detail. Dedicated simulators are therefore very useful because they allow the user to easily provide, without any code development, the equipment characteristics as well as the recipe. BatchReactor and BatchColumn are two software packages dedicated respectively to the simulation of reactors and distillation columns operated in batch mode. These models are also particularly useful in the scale-up and scale-down phases of process development. They can be used in the ProSimPlus environment, which also offers a complete library of unit operations operating in steady state.

The various concepts presented above will be illustrated during the presentation with examples of practical applications: beer brewing, PHB production, spirits production unit, etc.