Accelerated Development of Processes: Case study of silicon-to-operations scale-up and risk management
Process Development Symposium
Thursday, June 10, 2021 - 12:15pm to 12:45pm
ProSims BatchReactor® software  is dedicated to the simulation of batch chemical reactors, which provides the user with a detailed modeling of the reactor (heating/cooling system, condenser, mixing device ), a reliable description of the production recipe, and an analysis of scale-up or scale-down based on the volume or diameter of the reactor, for a reactor with uniform mixing (perfectly mixed). BatchReactor® allows modeling of complex systems by taking advantage of the power of Simulis® Thermodynamics (thermodynamic properties server) which offers an extensive set of thermodynamic models and a pure components database of more than 2,300 pure components (AIChEs DIPPR® database ). Moreover, thanks to the user interpreted kinetic rate model available through Simulis® Reaction (chemical reaction server), any kind of specific reaction models can be used in BatchReactor®, including classical models (equilibrium, kinetic, instantaneous) and bio models (Monod, Hill, Comtois, Competitive inhibition, Uncompetitive inhibition, Non-competitive Inhibition, etc). This is essential to represent kinetic bio-reactions with often non-classical laws . So, in BatchReactor®, a stoichio-kinetic model can be coupled with thermodynamic and heat transfer models already available in the software to simulate the bio-reactor.
The strengths of the BatchReactor simulation are accurate thermodynamic and transfer phenomena representation, classical and bio reactions, recipe description, and a user-friendly interface.
Batch reaction; Bio-reaction; Modeling; Simulation; Thermodynamic server; Chemical reaction server
 R.L. Rowley, W.V. Wilding, J.L. Oscarson, N.F. Giles, DIPPR® Data Compilation of Pure Chemical Properties, Design Institute for Physical Properties, AIChE, New York, NY (2011)
 Ramon Portugal F., Fillon M., Meyer X.M., Pingaud H., Strehiano P., I.S.B.N. 2-87805-022-3, 159-170 (1997)